data_1npq_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 1npq _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.787 0.327 . . . . 2.15 110.786 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -68.27 -29.04 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 2.17 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.7 -51.02 15.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 1.4 111.058 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.37 -28.92 67.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 1.72 110.831 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.94 69.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 1.18 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -59.09 -30.28 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 2.62 110.943 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.85 23.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 1.37 111.163 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.18 -30.87 69.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 3.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.55 151.14 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 1.37 110.841 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 164.44 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 2.08 110.85 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.15 -30.1 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 2.67 110.802 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -38.47 83.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 2.48 110.848 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -45.07 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 1.19 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.415 HG23 HD12 ' A' ' 19' ' ' ILE . 38.2 mt -56.44 -46.79 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 1.45 111.156 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.71 -60.28 3.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 1.55 111.086 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.83 -26.22 68.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 2.01 110.501 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -55.8 -35.01 65.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.996 -0.547 . . . . 4.55 110.895 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.28 2.43 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.986 -0.552 . . . . 3.4 111.418 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.831 0.348 . . . . 1.47 111.528 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.6 -1.72 35.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 1.26 111.95 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -52.03 -27.53 14.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.308 . . . . 2.62 111.14 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.98 -54.7 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 2.19 110.842 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 1.99 110.975 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.428 ' CE1' HG21 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -55.45 -70.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 2.39 111.069 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -58.03 118.02 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 1.08 110.947 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.38 -53.34 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.46 111.11 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.24 110.908 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.837 0.351 . . . . 1.37 110.761 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.428 HG21 ' CE1' ' A' ' 29' ' ' PHE . 42.2 mt -95.88 130.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 1.17 111.078 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -115.01 -166.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 2.0 110.712 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 p -68.3 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 1.29 110.959 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -47.42 23.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 3.82 110.988 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.28 -29.47 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.53 111.064 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -60.74 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 1.14 111.093 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.7 -23.84 23.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.811 -0.709 . . . . 0.52 112.779 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.2 m -59.57 -76.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.334 . . . . 1.28 111.001 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.21 -24.28 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 1.26 111.486 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mmt -76.99 -29.44 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 1.31 111.153 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -88.72 -27.47 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.34 . . . . 2.93 111.156 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.79 35.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 1.39 111.05 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.8 mt -146.39 -47.98 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 1.5 110.908 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.62 -42.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.94 112.506 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.17 166.08 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 2.1 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 7.8 t30 -149.7 53.15 1.23 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 2.42 111.007 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 63.9 Cg_endo -73.6 107.8 2.48 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.508 2.139 . . . . 0.61 112.2 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -178.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 1.95 111.058 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 2.75 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.48 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 2.02 110.909 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 2.15 110.921 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.19 -38.0 78.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.12 110.935 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.57 -30.87 68.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 1.78 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.3 78.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 1.23 111.059 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.25 -60.48 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.25 110.975 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.9 mt -47.0 -37.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.318 -0.401 . . . . 1.13 111.362 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.4 t -59.16 -31.28 68.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 1.2 110.841 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -87.81 -32.41 19.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 1.99 110.728 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.4 -60.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.46 111.039 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.28 102.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 1.16 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.89 -30.08 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 3.3 111.049 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -82.46 -30.99 29.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 1.33 110.993 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.8 53.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.92 112.388 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 -23.09 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 1.13 111.208 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.75 15.15 81.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.671 -0.776 . . . . 0.61 112.567 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.2 p -125.5 140.79 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.816 0.341 . . . . 1.3 110.776 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.6 mt -99.33 121.43 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.12 111.297 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.93 -169.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.74 110.875 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.23 -75.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 3.11 110.889 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.55 -25.27 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.408 . . . . 2.25 110.9 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.02 -23.59 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 1.23 111.144 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -70.67 -15.72 62.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 3.25 111.209 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 1.2 mt -91.81 -37.48 12.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 1.33 111.203 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.96 -26.53 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.78 111.599 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptm -58.01 -35.71 71.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 1.08 110.821 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.73 -30.94 24.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 1.66 110.62 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.2 t -66.51 -31.29 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 1.29 110.921 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -73.68 -8.71 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 2.86 111.254 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -115.73 -30.49 6.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.796 0.331 . . . . 2.83 111.111 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.9 mtt -63.06 -75.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 1.26 111.2 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 3.79 111.128 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.877 0.37 . . . . 1.5 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.16 12.53 17.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 1.25 111.433 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.79 -26.54 62.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 1.46 110.909 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.93 -65.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 1.45 110.953 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 10.8 ttp -61.54 -36.19 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.657 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 22' ' ' PHE . 10.3 mp -65.55 -36.57 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 1.45 110.65 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -87.93 -17.07 32.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 3.92 111.321 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.85 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 1.44 111.338 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.47 110.945 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.735 0.302 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.442 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 9.5 mt-30 -75.25 -23.73 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -51.63 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -58.56 -38.47 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 109.971 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.72 -55.69 5.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.239 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -53.89 -26.0 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.947 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.01 -16.61 19.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.542 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 82.0 t80 -69.53 -29.64 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.726 0.298 . . . . 0.0 111.187 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.77 178.91 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.39 161.71 14.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.726 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.0 -28.03 6.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.077 0.465 . . . . 0.0 110.13 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.4 -51.47 69.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.561 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -20.8 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 19' ' ' ILE . 54.3 mt -80.36 -63.95 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.872 0.368 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.31 -26.95 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -87.65 -31.38 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.866 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CG ' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.94 -35.51 76.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.158 179.218 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -79.36 -8.71 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.96 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -46.01 -73.32 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 112.004 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.44 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -72.53 -4.28 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.277 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CG ' ' HD2' ' A' ' 23' ' ' LYS . 1.8 t80 -47.18 -28.88 2.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.723 0.297 . . . . 0.0 111.424 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.81 -59.21 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.0 mmt -58.63 -28.71 65.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.545 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 5.8 m-85 -57.74 -73.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -59.6 119.94 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.175 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.89 -49.12 6.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.787 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.776 179.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.471 HG22 HD11 ' A' ' 37' ' ' ILE . 65.5 mt -93.83 127.61 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -102.02 -163.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.608 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 p -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -34.58 64.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.362 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.37 -25.81 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.282 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.78 -57.57 3.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 111.202 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.9 5.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.84 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.83 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 6.5 p -60.57 -30.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.85 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.413 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -71.66 -32.92 68.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.607 -179.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -84.91 -26.86 27.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.84 10.23 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -119.73 -41.33 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.72 -39.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.683 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.92 161.4 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 15.7 t30 -144.21 48.78 0.93 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 72.2 Cg_endo -76.02 107.93 2.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.39 2.06 . . . . 0.0 112.237 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.4 t -64.44 173.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -50.33 -38.26 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.179 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.4 m -68.89 -31.83 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -72.24 -54.62 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mt -66.62 -28.04 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.125 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.43 -24.86 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.802 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.1 -30.06 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.769 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.33 -58.34 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.7 mt -45.67 -45.89 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 t -54.75 -42.89 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.399 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.93 -32.67 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.007 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 53.1 t -65.15 -42.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.45 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.71 99.67 11.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.77 -27.79 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.34 -27.99 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.14 53.54 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.344 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 p -110.96 -24.85 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.278 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.64 -7.46 76.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.496 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -105.03 150.53 24.88 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.882 0.372 . . . . 0.0 110.709 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.0 mt -107.62 115.12 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.441 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -174.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.89 -78.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -61.02 -26.84 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.1 mt-10 -52.87 -25.08 10.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.311 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 20.6 t80 -68.21 -15.35 63.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.365 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mp -95.33 -42.31 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.759 0.314 . . . . 0.0 110.448 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 7.8 p -66.38 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.518 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.6 ptm -49.48 -42.55 43.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.593 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.412 ' HG3' ' CE ' ' A' ' 81' ' ' MET . 0.1 OUTLIER -85.78 -23.78 27.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.39 -38.14 78.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.977 0.418 . . . . 0.0 110.06 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -65.63 -24.87 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.774 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -99.3 -25.01 14.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 mtt -72.31 -39.3 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.585 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.03 0.443 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.43 0.46 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.898 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.85 -29.55 0.82 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.0 -66.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ttp -56.13 -34.03 65.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.081 0.467 . . . . 0.0 109.879 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.43 HD21 ' CG ' ' A' ' 22' ' ' PHE . 9.7 mp -65.92 -40.99 91.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.068 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.64 14.17 14.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.51 -75.02 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.463 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.617 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -76.62 -21.56 55.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.94 -50.6 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.85 -37.47 71.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.074 0.464 . . . . 0.0 110.11 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.37 -56.77 4.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.394 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.98 -26.01 13.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.43 18.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.254 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -24.95 59.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.039 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -112.24 171.09 7.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.29 160.71 17.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -27.49 7.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.241 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.52 -54.01 50.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -27.57 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 19' ' ' ILE . 39.5 mt -74.66 -63.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.741 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 -26.3 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.191 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -90.26 -30.94 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.903 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -60.27 -33.48 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 179.078 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -79.44 -8.25 58.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.851 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.959 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.48 -2.73 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.316 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.418 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -46.44 -28.85 1.49 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.735 0.302 . . . . 0.0 111.538 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.77 -57.2 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.45 -28.28 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.446 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -58.71 -75.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -52.35 118.55 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 -48.43 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.869 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.865 0.364 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.446 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 92.5 mt -100.3 120.25 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.23 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 p -106.78 -164.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.694 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 p -67.1 -28.63 68.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -81.26 -38.16 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.212 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.71 -16.63 63.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.431 HD22 ' CG2' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -83.82 -62.24 1.62 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.63 0.252 . . . . 0.0 111.085 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.32 -28.57 4.64 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.1 m -59.29 -75.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.919 0.39 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' A' ' 44' ' ' THR . 7.3 p -63.89 -25.14 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.933 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -77.51 -32.48 54.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.41 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -83.71 -31.14 26.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.292 . . . . 0.0 111.439 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.405 ' CE ' HD13 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -90.15 10.09 25.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.8 mt -119.27 -38.55 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.349 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.55 -32.41 0.63 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.405 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.01 159.49 30.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.734 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 12.1 t-20 -144.24 51.08 1.39 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.43 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 59.7 Cg_endo -71.74 107.98 2.32 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.503 2.135 . . . . 0.0 112.128 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 p -56.36 -178.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.51 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.07 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.771 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -59.15 5.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.26 -36.09 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.744 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.65 -25.49 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.07 -32.09 59.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.3 -60.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.6 mt -43.17 -43.74 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.164 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.44 -41.56 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.32 -36.22 61.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.135 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 78.2 t -65.09 -56.25 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.91 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -81.43 -30.18 33.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.74 51.04 1.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.72 -25.05 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 0.0 111.187 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.21 0.31 85.86 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.559 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.7 p -111.65 144.18 41.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.3 mt -102.84 118.84 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -168.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -61.12 -73.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.12 -28.03 69.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.592 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.4 mt-10 -52.1 -27.35 13.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.504 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 11.2 t80 -64.61 -16.04 62.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.157 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.1 mp -95.61 -49.35 5.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.2 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.44 ' HA ' HG23 ' A' ' 83' ' ' VAL . 8.5 p -60.02 -30.56 45.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.0 OUTLIER -52.77 -42.17 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.445 ' CE ' ' CZ ' ' A' ' 22' ' ' PHE . 2.2 mtp -86.69 -25.61 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 80' ' ' VAL . 75.9 t -61.47 -34.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.084 0.468 . . . . 0.0 110.135 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -73.12 -14.54 61.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.084 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -105.54 -22.39 13.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.874 0.369 . . . . 0.0 110.579 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.414 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 9.2 mtt -78.34 -47.07 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.861 0.363 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.81 5.34 37.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.838 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.55 -26.77 9.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.869 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.407 ' CE ' ' CD1' ' B' ' 122' ' ' LEU . 1.2 ttp -54.3 -33.61 59.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 109.961 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 22' ' ' PHE . 7.5 mp -65.67 -39.31 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.338 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -90.29 12.75 17.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.34 -69.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.859 0.361 . . . . 0.0 111.458 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.405 HD13 ' CE ' ' A' ' 48' ' ' MET . 8.5 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.372 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.422 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.99 -32.8 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.07 15.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.83 -35.44 68.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.851 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.99 -58.57 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.405 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -52.59 -27.07 15.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.84 -19.47 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.252 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -25.63 61.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.988 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 7.4 mt -112.11 165.63 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 160.51 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.678 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -50.04 -28.11 6.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.082 0.468 . . . . 0.0 110.188 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.11 -54.92 38.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.658 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -18.99 60.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.21 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.5 mt -82.56 -63.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.917 0.389 . . . . 0.0 110.75 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.84 -26.34 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -86.45 -32.8 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.104 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -33.61 72.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.753 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 6.3 tptp -74.3 -15.91 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.722 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.7 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.315 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -76.52 -0.91 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -50.59 -29.29 10.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.762 0.315 . . . . 0.0 111.376 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.19 -62.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.989 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtm -57.26 -26.9 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 2.1 m-85 -55.83 -69.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -59.08 119.72 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.83 -51.05 5.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.877 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.857 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.902 0.382 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 79.6 mt -97.97 125.87 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.139 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.87 -164.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.705 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 p -70.11 -37.51 75.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -73.43 -35.94 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.23 -24.18 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -56.95 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.331 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.88 -27.69 6.69 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.822 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.64 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.13 0.49 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.5 p -61.38 -28.69 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.988 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -32.73 62.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.624 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -83.03 -28.1 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 111.412 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.02 10.19 32.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.497 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 45' ' ' VAL . 16.9 mt -119.19 -39.97 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.04 -39.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.637 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -67.96 156.95 36.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 4.1 t-20 -144.14 48.88 0.95 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 58.3 Cg_endo -71.69 116.89 4.88 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.41 2.073 . . . . 0.0 112.228 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.6 p -58.38 179.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.12 78.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.45 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -64.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.91 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.69 -28.13 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.54 61.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mp -79.9 -60.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.338 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 39.3 mt -44.63 -44.65 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.84 -38.0 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -78.4 -33.38 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.158 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.8 t -68.03 -54.69 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.62 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.57 112.87 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -99.08 28.39 4.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -149.16 22.1 0.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.43 48.19 55.2 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.697 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -27.75 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.95 14.55 63.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.59 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 p -116.38 144.7 43.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 49.9 mt -103.6 108.04 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.247 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.82 -167.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.29 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -65.57 -21.24 66.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.4 mt-10 -52.57 -26.93 14.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.518 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 35.9 t80 -70.11 -14.42 62.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.88 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -95.07 -32.36 13.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.422 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 6.0 p -79.03 -29.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.518 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.8 ptm -53.11 -41.09 64.67 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.547 0.689 . . . . 0.0 110.09 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.474 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 5.3 mtt -78.21 -33.18 50.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.627 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.38 -22.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.965 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -16.84 49.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -108.9 -35.55 6.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.97 0.414 . . . . 0.0 110.481 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 7.0 mtt -60.27 -58.95 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.42 ' CB ' ' HE2' ' A' ' 82' ' ' MET . . . -79.04 0.73 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.395 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -47.23 -27.47 1.52 Allowed 'General case' 0 CA--C 1.528 0.101 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.05 -67.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.811 0.338 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.438 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.9 OUTLIER -54.61 -32.25 58.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.438 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.58 -37.85 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.266 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.16 0.65 57.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.009 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.43 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . . . -66.86 -71.91 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.878 0.37 . . . . 0.0 111.691 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.285 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.712 0.291 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.442 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.33 -34.17 74.83 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 110.578 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -52.88 16.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.829 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.42 -35.04 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.65 -57.61 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.096 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -26.64 15.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.837 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.51 19.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.269 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.67 -27.15 60.29 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.837 0.351 . . . . 0.0 111.023 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.62 167.31 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 162.61 18.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -50.35 -27.21 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.1 0.476 . . . . 0.0 110.207 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -60.13 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.779 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.428 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.27 -24.19 10.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.14 -63.66 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.745 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.93 -26.88 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.992 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 16.8 mt-10 -88.9 -27.96 20.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.046 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' HE2' ' A' ' 82' ' ' MET . 0.1 OUTLIER -63.9 -42.77 97.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.125 179.304 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -14.7 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.852 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.75 -68.76 0.15 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.026 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -80.91 -2.43 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 26' ' ' PHE . 18.1 t80 -53.82 -24.84 16.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -83.52 -61.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mmt -54.83 -27.28 40.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 m-85 -57.69 -75.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -55.81 119.82 6.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.163 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.62 -51.87 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.843 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.767 179.796 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 32.3 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.819 0.343 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.445 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 70.4 mt -93.98 122.32 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 p -107.0 -164.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.645 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 p -68.17 -30.37 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.066 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.78 -40.66 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.22 -24.94 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -51.17 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.232 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.75 -20.23 39.05 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.616 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.5 m -65.6 -79.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.992 0.425 . . . . 0.0 111.254 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.465 HG13 ' CE1' ' A' ' 29' ' ' PHE . 3.2 p -56.5 -38.75 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.169 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.07 -24.43 67.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.625 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -88.96 -28.99 19.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.05 10.13 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.528 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' CD1' ' CG2' ' A' ' 45' ' ' VAL . 34.7 mt -115.96 -40.28 3.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.359 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.14 -34.79 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.364 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.9 168.9 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.711 0.291 . . . . 0.0 110.564 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.583 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 1.7 t30 -144.19 44.93 0.5 Allowed Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.583 ' HD3' ' N ' ' A' ' 52' ' ' ASN . 52.1 Cg_exo -52.44 107.83 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 121.92 1.747 . . . . 0.0 112.068 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -60.41 167.88 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -57.03 -28.49 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 p -85.95 -33.32 21.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.25 -60.19 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.406 ' CD2' ' CB ' ' A' ' 53' ' ' PRO . 3.0 mt -63.72 -32.48 73.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.669 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.95 -25.23 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.688 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.37 -33.03 37.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.64 -57.39 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.441 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.3 mt -46.88 -45.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.27 -34.06 71.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -82.65 -33.31 27.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.223 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.3 t -68.1 -49.69 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.98 117.65 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.088 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -102.7 28.03 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -148.6 21.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.07 56.9 12.39 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.73 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -119.58 -35.44 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.1 4.9 89.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.634 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.6 p -110.19 144.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.442 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 34.0 mt -105.21 119.0 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.366 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.42 -169.2 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.84 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -60.82 -29.11 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.711 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.8 mt-10 -53.23 -26.41 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 19.3 t80 -71.59 -11.98 61.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.096 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 mp -95.54 -45.49 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 110.048 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.4 p -62.2 -30.3 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.917 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.495 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.1 ptm -53.57 -42.74 67.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.155 0.502 . . . . 0.0 110.381 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.476 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 3.2 ttm -80.08 -28.91 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.41 -30.86 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.551 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -77.26 -18.48 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -108.12 -14.61 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.42 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.4 mtm -81.98 -56.58 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.894 0.378 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.411 ' O ' HD12 ' B' ' 122' ' ' LEU . . . -76.95 -5.65 49.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.798 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -42.79 -27.92 0.21 Allowed 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.93 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.56 -66.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.619 0.247 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -39.85 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.432 ' CD2' ' HE2' ' A' ' 82' ' ' MET . 7.6 mp -60.34 -32.61 71.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.07 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -90.13 -19.83 23.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 49' ' ' LEU . . . -56.94 -69.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.408 ' CD1' HG23 ' A' ' 45' ' ' VAL . 9.0 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.902 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.737 0.303 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.459 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 2.3 mp0 -64.64 -17.3 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.3 -50.55 5.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.26 -43.05 87.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.444 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.66 -57.78 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.532 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -52.81 -29.3 26.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.02 21.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.174 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.27 -19.75 63.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.07 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 9.9 mt -116.28 163.55 15.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.63 163.64 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -50.04 -27.76 6.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -58.62 7.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.641 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.409 ' CE ' ' HE2' ' A' ' 86' ' ' MET . 0.0 OUTLIER -58.41 -21.63 51.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.1 mt -82.09 -64.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.05 -26.32 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.63 -30.95 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.166 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.2 -35.29 76.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.874 179.163 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.5 tptt -78.61 -9.18 59.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.84 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.96 -72.2 0.06 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.017 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -79.58 -0.93 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.415 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 12.5 t80 -52.75 -25.14 10.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.681 0.276 . . . . 0.0 111.48 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.27 -65.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -26.46 23.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 1.5 m-85 -55.85 -70.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -57.16 119.58 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.31 -51.51 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.968 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 94.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.917 0.389 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 79.3 mt -101.42 129.92 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -111.66 -164.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.9 p -70.22 -23.88 63.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.21 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -37.56 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.203 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -64.49 -18.02 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.48 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.25 -57.33 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.256 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.48 -26.8 5.39 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.676 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.5 m -58.72 -79.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 6.2 p -60.02 -32.67 50.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.973 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 mmt -68.49 -32.09 71.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -83.32 -28.51 28.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 111.563 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.12 10.29 34.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.566 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' HG3' ' B' ' 121' ' ' MET . 22.5 mt -118.71 -40.93 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.52 -36.32 0.43 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -67.91 163.54 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 9.5 t30 -144.22 46.67 0.66 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 98.2 Cg_endo -77.63 107.66 2.42 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.238 1.959 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -60.54 178.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -56.45 -32.64 65.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -73.79 -44.18 56.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.85 -45.82 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -78.76 -22.63 46.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.07 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.99 -27.88 63.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.997 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.51 56.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 ' O ' HG21 ' A' ' 65' ' ' VAL . 1.9 mp -80.37 -59.66 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 62' ' ' ILE . 51.8 mt -44.75 -47.92 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.38 -34.01 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -83.68 -32.83 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.969 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 39.8 t -64.4 -50.67 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.5 103.0 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -71.53 -26.36 62.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.88 -26.59 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 56.77 1.54 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 -15.55 12.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.63 0.253 . . . . 0.0 111.465 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.55 4.17 69.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.229 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.2 p -114.57 138.79 50.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.831 0.348 . . . . 0.0 110.742 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.453 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.7 mt -98.85 110.48 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.479 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -170.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.09 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.63 -20.21 66.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.1 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.69 -22.83 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.218 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 24.9 t80 -70.98 -9.59 58.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.694 0.283 . . . . 0.0 111.003 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.42 -39.75 9.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 109.984 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 43.5 t -65.81 -32.73 59.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.699 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.2 ptm -52.93 -41.55 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.404 ' HB3' ' HE3' ' A' ' 86' ' ' MET . 4.0 ttm -84.7 -30.49 24.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.498 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.04 -37.92 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -15.94 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.382 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -109.3 -24.57 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 7.4 mtt -73.79 -44.89 54.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.823 179.778 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.955 0.407 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.404 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -67.62 -10.83 55.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -41.22 -28.13 0.09 Allowed 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.09 -61.01 2.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.402 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -58.44 -37.16 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.063 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' B' ' 122' ' ' LEU . 5.2 mp -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.07 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 13.91 14.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.4 -72.39 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.515 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.632 -179.495 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.421 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -73.1 -18.98 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.58 -49.22 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.96 -37.15 73.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 0.0 109.773 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . . . -46.97 -57.31 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.312 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.27 -25.92 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.849 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.12 19.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -27.16 52.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.972 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 13.9 mt -105.23 154.59 20.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.1 161.23 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.617 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.95 -27.94 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -61.73 -53.74 52.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.645 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -21.99 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -80.92 -64.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.978 0.418 . . . . 0.0 110.643 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -25.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -87.75 -32.69 18.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.147 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.24 -33.47 72.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.904 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -74.98 -17.26 60.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.93 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.23 -74.04 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.19 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.429 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . . . -75.82 -3.52 35.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.421 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 43.9 t80 -52.36 -27.09 14.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.78 -61.09 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mmt -57.68 -28.28 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 3.0 m-85 -57.01 -74.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -55.42 119.15 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.158 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.9 -46.97 6.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.981 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.443 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 51.2 mt -123.34 129.48 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.59 -163.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -65.21 -27.17 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -80.87 -49.86 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.155 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HB2' HG21 ' A' ' 37' ' ' ILE . 8.9 mt-10 -55.88 -22.73 27.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.374 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -82.43 -43.91 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.712 0.291 . . . . 0.0 111.124 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.66 -9.98 53.18 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.808 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -78.46 -75.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.49 . . . . 0.0 111.232 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 5.9 p -58.48 -37.53 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.301 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.43 ' N ' HG12 ' A' ' 45' ' ' VAL . 2.4 mtp -68.25 -30.2 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -81.3 -29.88 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.11 10.18 34.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.531 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 HD11 ' CG2' ' A' ' 45' ' ' VAL . 20.1 mt -117.85 -40.42 3.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.59 -39.23 0.36 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.627 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.95 160.39 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.727 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 t30 -144.19 51.13 1.41 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 61.5 Cg_endo -73.77 108.4 2.63 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.458 2.106 . . . . 0.0 112.158 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.78 -177.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -55.23 37.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 p -58.98 -31.66 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -61.62 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.32 -32.82 74.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -65.03 -27.53 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.11 62.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 110.726 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 65' ' ' VAL . 2.4 mp -80.5 -60.05 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.336 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 62' ' ' ILE . 41.9 mt -45.63 -39.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.8 -40.36 97.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.649 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -37.99 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 60.0 t -66.12 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.35 92.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.035 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.94 -29.89 68.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.84 -28.2 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.42 58.19 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -115.7 -30.21 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.82 -8.17 80.34 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.351 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.1 p -104.82 128.36 52.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -90.59 107.84 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -65.25 -79.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.24 -22.76 65.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.2 mt-10 -52.74 -29.63 28.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.592 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.9 t80 -67.2 -14.7 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.743 0.306 . . . . 0.0 110.752 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -92.73 -40.98 10.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.604 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 6.8 p -69.18 -37.42 76.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.592 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.1 ptm -49.04 -41.35 34.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.681 0.753 . . . . 0.0 110.201 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.501 ' H ' ' HG3' ' A' ' 81' ' ' MET . 32.9 mtp -75.6 -30.54 59.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.772 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.4 t -69.37 -31.41 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.677 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -22.39 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -106.04 -20.43 13.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtm -75.8 -40.37 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.898 0.38 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.409 ' CB ' ' CE ' ' A' ' 82' ' ' MET . . . -81.36 -0.39 41.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.03 -26.51 2.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.183 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.69 -69.54 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.403 ' CE ' ' CD1' ' B' ' 122' ' ' LEU . 0.7 OUTLIER -54.03 -32.4 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 110.194 179.318 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.403 ' CD1' ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.87 -39.24 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.278 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 39.0 ttp85 -90.2 10.64 23.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.35 -70.34 0.48 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.98 0.419 . . . . 0.0 111.345 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 8.1 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.322 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.427 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.6 mt-30 -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.31 -50.06 10.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.2 mt-10 -57.08 -37.12 71.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 109.855 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.66 -61.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.386 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -51.53 -26.98 9.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.62 -22.2 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.13 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.1 t80 -77.24 -27.03 53.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.71 153.43 21.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 161.3 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -27.29 5.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.055 0.455 . . . . 0.0 110.224 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.03 -57.41 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.767 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.419 ' CE ' ' HE2' ' A' ' 86' ' ' MET . 0.1 OUTLIER -54.94 -22.43 14.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.332 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.474 HD13 HG21 ' A' ' 19' ' ' ILE . 36.9 mt -80.31 -63.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 110.797 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.97 -25.67 1.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.402 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.45 -30.82 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CD2' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.76 -34.31 74.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.81 179.112 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 10.0 tptt -75.0 -13.14 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.734 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.85 -80.13 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.31 -6.48 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -46.17 -29.85 1.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.655 0.264 . . . . 0.0 111.53 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -82.07 -59.7 2.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -59.26 -26.66 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -58.69 -71.42 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -53.86 118.29 3.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.65 -46.16 6.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.049 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.065 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.995 0.426 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 96.8 mt -111.34 118.84 58.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.276 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -102.78 -162.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.729 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.3 p -69.58 -27.85 65.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.254 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -26.54 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.421 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -74.31 -21.52 59.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.44 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -79.29 -61.68 1.93 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.69 0.281 . . . . 0.0 111.081 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.29 -28.41 3.21 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.575 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.65 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 29' ' ' PHE . 8.0 p -64.88 -25.08 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.814 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.04 -31.57 58.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.621 0.248 . . . . 0.0 111.334 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -83.79 -31.28 25.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.381 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.13 10.1 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.424 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.418 ' CD1' ' HB1' ' B' ' 124' ' ' ALA . 17.6 mt -118.83 -37.83 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.056 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.21 -34.26 0.66 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.652 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.98 157.25 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.795 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.9 t-20 -144.18 50.3 1.23 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 47.9 Cg_endo -68.35 107.85 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.461 2.107 . . . . 0.0 112.038 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -54.34 173.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.001 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -23.76 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 54.3 m -83.57 -30.3 27.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 0.0 111.306 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.45 -54.18 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.106 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.4 -15.01 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.7 -29.39 27.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.831 0.348 . . . . 0.0 110.789 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.43 62.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.5 mp -78.93 -64.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 62' ' ' ILE . 50.2 mt -44.77 -31.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.75 -41.26 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.31 -40.81 58.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.478 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 46.2 t -63.85 -50.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.834 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -75.83 80.66 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.22 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.49 -28.59 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.54 58.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 p -116.43 -31.87 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.91 -10.33 74.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.406 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.7 p -104.96 138.8 40.62 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.882 0.372 . . . . 0.0 110.758 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 36.1 mt -97.95 116.55 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.53 -171.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.16 -69.08 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.077 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -70.65 -25.33 62.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 81' ' ' MET . 11.2 mt-10 -51.49 -25.63 6.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.469 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.517 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 9.6 t80 -67.35 -14.22 62.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.125 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 1.4 mp -95.32 -44.96 7.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.284 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 9.0 p -64.51 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.1 ptm -53.94 -42.55 68.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.115 0.484 . . . . 0.0 110.252 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.432 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 3.7 ttm -79.74 -30.89 40.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -61.53 -42.42 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -17.24 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.396 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -108.48 -23.9 11.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.432 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.9 mtm -74.68 -39.93 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.824 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.783 0.325 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.7 -10.96 60.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.411 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 42.9 t0 -43.29 -28.83 0.35 Allowed 'General case' 0 CA--C 1.527 0.059 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.671 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.36 -61.01 2.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 4.0 ttp -59.62 -33.3 71.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 109.9 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.448 HD11 ' N ' ' B' ' 122' ' ' LEU . 9.2 mp -66.61 -37.05 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.908 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -90.42 11.76 20.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.616 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -78.93 -68.36 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.012 0.434 . . . . 0.0 111.821 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' A' ' 45' ' ' VAL . 10.9 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.783 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.743 0.306 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.413 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 3.6 mt-30 -69.87 -25.68 63.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.86 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.61 -37.05 67.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.174 0.511 . . . . 0.0 109.744 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.77 -57.29 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.181 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -27.84 17.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.027 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.17 -19.91 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD2' HG13 ' A' ' 83' ' ' VAL . 6.6 m-85 -74.83 -18.66 60.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.235 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -120.97 168.09 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.939 0.399 . . . . 0.0 111.013 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.53 162.06 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -27.76 6.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 0.0 110.215 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.1 -57.24 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.674 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -20.82 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -81.01 -61.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.9 -27.08 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.267 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 16.2 mt-10 -88.68 -31.26 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.877 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.82 -34.56 73.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.142 179.182 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.962 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.11 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.77 -4.74 29.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.2 t80 -46.76 -28.33 1.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.69 0.281 . . . . 0.0 111.593 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.5 -56.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mmt -58.37 -35.11 71.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CE2' HG11 ' A' ' 45' ' ' VAL . 1.7 m-85 -54.51 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -58.17 119.02 6.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -50.98 5.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.724 179.828 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 97.2 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.446 HD12 HG22 ' A' ' 37' ' ' ILE . 81.1 mt -96.57 126.95 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.77 -164.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.734 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.3 p -66.86 -43.49 83.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.102 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.93 -41.76 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.51 -22.69 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.388 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 ' CD2' ' CG2' ' A' ' 37' ' ' ILE . 0.9 OUTLIER -81.5 -60.33 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.043 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -46.29 -26.98 2.54 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.953 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.8 m -65.01 -80.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.434 . . . . 0.0 111.149 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.488 HG11 ' CE2' ' A' ' 29' ' ' PHE . 4.0 p -57.11 -36.22 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.15 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.4 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.59 -32.41 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 7.6 mtp-105 -84.64 -27.56 27.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.659 0.266 . . . . 0.0 111.689 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.408 ' CE ' HD11 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -92.82 10.17 32.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.63 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 HD13 ' CG2' ' A' ' 45' ' ' VAL . 15.2 mt -119.81 -39.93 2.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.698 0.285 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 161.3 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.8 t-20 -144.16 48.52 0.9 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.387 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 72.5 Cg_endo -75.62 107.84 2.56 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.434 2.09 . . . . 0.0 112.12 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -175.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -58.72 -39.53 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.58 -36.32 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.51 -53.37 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.82 -28.42 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.14 -26.17 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.18 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp -83.03 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 62' ' ' ILE . 48.2 mt -43.23 -40.95 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.134 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.02 -45.9 91.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.62 -33.24 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 76.8 t -64.7 -48.2 85.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.565 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.8 119.14 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.043 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.24 -26.44 21.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -99.3 20.23 14.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.46 53.44 20.41 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.662 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.73 -18.36 13.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.25 . . . . 0.0 111.329 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.41 11.46 62.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.358 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 56.5 p -117.23 148.28 41.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 24.3 mt -115.55 110.1 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.488 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -73.31 -167.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.756 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.95 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.722 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.26 -30.03 61.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.731 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.2 mt-10 -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.361 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.8 t80 -64.26 -15.81 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.378 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 2.5 mp -95.5 -44.75 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 110.411 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.5 p -64.32 -32.51 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.655 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -50.77 -42.77 58.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.458 ' CE ' ' CZ ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -86.55 -24.78 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.075 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 13' ' ' PHE . 91.9 t -65.64 -39.35 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.978 0.418 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -69.65 -16.0 63.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -103.47 -30.92 10.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.37 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.426 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 8.0 mtt -67.93 -56.1 10.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.693 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.47 4.83 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.643 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -45.14 -28.85 0.8 Allowed 'General case' 0 C--N 1.338 0.082 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.893 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.38 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.695 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 11.3 ttp -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 109.825 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 9.4 mp -64.94 -36.15 83.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.205 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -90.75 12.81 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.67 -70.15 0.6 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.89 0.376 . . . . 0.0 111.869 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.408 HD11 ' CE ' ' A' ' 48' ' ' MET . 7.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.863 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.687 0.28 . . . . 0.0 111.357 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.444 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.07 -9.2 59.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.247 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.41 -50.92 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.318 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -54.89 -42.89 72.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.258 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 80' ' ' VAL . . . -43.88 -57.48 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.439 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -25.7 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.794 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.04 -19.69 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE1' ' HD2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -69.44 -12.96 62.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.288 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.421 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -126.73 167.6 15.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.48 160.63 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.83 -27.96 5.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.19 0.519 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.98 -53.71 51.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.597 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.417 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -64.47 -22.1 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.078 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.9 mt -78.36 -64.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.709 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.21 -27.42 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.15 -32.42 18.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.389 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CG ' HD22 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -60.59 -34.79 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.266 179.373 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -78.93 -11.52 60.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.115 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.44 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.62 -6.6 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.286 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -43.66 -30.42 0.62 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.712 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.04 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mmm -57.68 -28.35 63.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -58.17 -74.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -55.01 119.06 4.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.854 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 85.9 mt -98.41 116.13 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.26 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -97.61 -163.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.682 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.6 p -67.24 -38.74 85.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.242 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.97 63.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.96 -22.46 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -80.56 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 111.032 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -47.17 -29.22 4.74 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.602 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -58.07 -78.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 44' ' ' THR . 7.4 p -61.81 -27.11 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.916 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.405 ' N ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -75.93 -32.4 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.566 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 84.8 mtt180 -85.76 -28.43 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.649 0.261 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.69 10.2 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.506 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.6 mt -120.1 -40.54 2.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.769 0.318 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -35.52 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.66 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.95 158.42 32.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t-20 -144.23 50.57 1.28 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 59.9 Cg_endo -72.25 113.57 3.74 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.472 2.114 . . . . 0.0 112.272 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -170.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -65.8 -54.67 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -34.19 68.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.33 -59.71 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.21 -31.23 71.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.03 -24.98 62.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.98 -33.95 57.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 110.739 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 65' ' ' VAL . 1.8 mp -76.64 -60.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 62' ' ' ILE . 48.2 mt -43.96 -49.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -36.07 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.342 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -33.93 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.745 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 86.3 t -65.29 -58.43 7.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.311 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.68 114.85 4.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.232 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -89.16 -23.04 22.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -102.45 18.98 19.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 50.69 56.86 11.96 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.54 -18.93 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.562 0.22 . . . . 0.0 111.321 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.16 8.67 62.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.308 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 p -121.92 146.55 47.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.915 0.388 . . . . 0.0 110.752 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.5 mt -103.82 118.77 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.294 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -168.72 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -61.48 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.63 -24.57 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.9 mt-10 -53.65 -25.12 16.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.171 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.478 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 19.0 t80 -62.91 -16.01 57.43 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.758 0.313 . . . . 0.0 110.938 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.402 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.3 mp -95.25 -38.91 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 109.919 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.444 HG21 ' HA ' ' A' ' 7' ' ' GLN . 25.1 t -67.75 -37.37 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.836 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.529 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 2.0 ptm -45.48 -38.64 6.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.666 0.745 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.412 ' HG3' ' HE2' ' A' ' 81' ' ' MET . 1.1 mmm -92.82 -27.97 16.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.36 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.409 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 99.8 t -65.8 -42.07 91.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.874 0.368 . . . . 0.0 110.609 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -27.18 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.211 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.85 12.6 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.417 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.421 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 2.5 mtt -103.91 -46.95 4.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.314 . . . . 0.0 110.7 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 2.7 mtpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.043 0.449 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.52 -1.97 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.964 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -45.06 -29.4 0.87 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.753 0.311 . . . . 0.0 110.939 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.54 -67.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 4.3 ttp -55.86 -34.61 65.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.183 0.516 . . . . 0.0 109.835 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' A' ' 22' ' ' PHE . 10.9 mp -64.56 -41.12 96.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.56 12.53 18.5 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.123 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.29 -73.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 111.411 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.397 -179.632 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 2.2 mt-30 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.95 -48.66 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.759 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.58 -35.92 54.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.231 0.539 . . . . 0.0 109.751 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -45.54 -60.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.339 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -51.65 -27.38 11.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.68 -21.18 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.195 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -24.62 54.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 14.1 mt -109.02 158.94 17.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.28 160.31 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.601 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.83 -27.79 5.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 0.0 110.163 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.63 16.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.744 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -21.19 47.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' PHE . 36.4 mt -80.66 -63.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.91 0.386 . . . . 0.0 110.724 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.37 -28.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.001 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -87.26 -33.92 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.985 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.07 -35.6 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.891 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -70.56 -21.43 62.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.893 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.03 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.464 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . . . -77.08 -1.03 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 8.2 t80 -52.62 -25.45 10.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 111.48 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.91 -63.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -56.83 -25.59 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.496 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 1.5 m-85 -55.0 -66.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.59 120.31 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -50.71 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.911 0.386 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 78.6 mt -96.92 117.85 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -91.23 -164.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -55.87 13.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -61.26 -36.06 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.59 -24.14 45.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.71 -57.03 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.24 -27.1 7.14 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.684 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -55.52 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 111.065 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.485 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.3 p -62.77 -26.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.781 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.07 -30.86 61.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 -28.83 21.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.639 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.23 10.05 28.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.564 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 ' CG2' ' A' ' 45' ' ' VAL . 18.4 mt -119.45 -39.93 2.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.5 -34.67 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.544 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.92 159.79 29.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.799 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 5.4 t-20 -144.23 50.32 1.23 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 72.1 Cg_endo -73.69 107.89 2.51 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.429 2.086 . . . . 0.0 112.11 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -179.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.998 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -56.19 -46.89 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -31.3 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -55.19 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -73.38 -31.58 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.639 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.06 -27.02 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -29.9 57.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.78 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.96 -60.78 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.374 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.407 HG23 HD11 ' A' ' 62' ' ' ILE . 41.7 mt -43.34 -43.63 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.1 t -56.67 -44.98 81.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.225 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.77 -32.18 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.994 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 81.0 t -65.87 -46.55 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.473 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.79 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.078 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -27.54 62.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -82.6 -29.99 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.007 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.96 52.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.315 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.67 -26.47 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.25 -5.48 82.97 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.595 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 p -105.25 148.84 26.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.4 mt -105.33 112.31 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.37 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -169.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -58.31 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.0 -19.01 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.051 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.62 -27.01 15.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.511 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 25.1 t80 -72.35 -11.01 60.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.063 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.19 -35.67 11.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.808 0.337 . . . . 0.0 110.693 179.562 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.463 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 4.2 p -74.26 -32.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.9 ptm -50.93 -40.89 58.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.325 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.496 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 4.7 mtt -74.32 -37.7 63.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.882 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 10' ' ' ALA . 41.7 t -63.37 -37.86 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -19.66 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.257 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 81' ' ' MET . 1.9 mm-40 -110.03 -25.39 10.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.496 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtt -70.76 -34.11 71.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.022 0.439 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.441 ' CB ' ' HE3' ' A' ' 82' ' ' MET . . . -77.87 0.64 23.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.294 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -44.78 -28.46 0.64 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.685 0.279 . . . . 0.0 111.29 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.53 -65.11 0.62 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 4.4 ttp -56.4 -35.25 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 0.0 110.059 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.4 ' CD1' ' HE3' ' A' ' 82' ' ' MET . 9.0 mp -66.3 -36.87 84.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.177 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -90.26 11.87 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . . . -79.72 -73.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 111.45 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.5 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.379 -179.753 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.83 0.348 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -73.91 -12.93 60.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.12 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.15 -49.99 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.33 -41.73 69.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -43.32 -61.19 1.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.528 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -52.11 -26.17 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.806 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.75 -20.75 20.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.239 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.439 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 67.3 t80 -67.34 -32.62 73.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -107.0 164.95 11.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 160.39 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -27.77 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 110.041 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.34 -63.37 1.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.644 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -23.74 9.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.457 HG21 HD11 ' A' ' 19' ' ' ILE . 44.7 mt -75.33 -60.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.081 0.467 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.15 -24.51 10.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.46 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.58 -34.11 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.194 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CZ ' ' O ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -62.36 -34.5 76.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.227 179.537 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -17.87 62.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.34 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.05 -70.93 0.08 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.82 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -66.72 -10.27 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.148 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -49.65 -28.64 6.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -76.72 -60.75 2.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.826 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 mmt -61.73 -29.06 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 2.6 m-85 -55.34 -63.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -68.37 119.7 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.29 -50.75 5.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.886 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.42 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 61.4 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 61.3 mt -91.04 117.64 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.05 -164.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -45.76 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -67.71 -29.37 68.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.06 -25.85 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.245 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -56.8 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 111.179 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.99 -26.22 26.43 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.4 m -58.01 -79.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.928 0.394 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.428 HG12 ' CE1' ' A' ' 29' ' ' PHE . 2.7 p -55.43 -26.42 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mmt -79.62 -29.65 41.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -87.03 -26.27 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.542 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.4 ' HE2' ' CD2' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -89.98 -11.97 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.478 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' B' ' 121' ' ' MET . 30.6 mt -94.73 -50.13 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 111.184 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.31 -30.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.581 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -67.73 162.19 24.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.649 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -144.26 55.05 3.1 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.284 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HB2' ' HG ' ' A' ' 58' ' ' LEU . 50.8 Cg_endo -67.83 107.94 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.471 2.114 . . . . 0.0 111.846 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.0 p -52.48 171.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.286 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -56.69 16.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -31.52 68.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.63 -63.84 1.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.416 ' HG ' ' HB2' ' A' ' 53' ' ' PRO . 5.7 mt -60.35 -30.48 69.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.768 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -26.57 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.1 -29.87 58.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp -80.49 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.298 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.5 mt -44.71 -47.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.91 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -53.62 -37.03 62.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.274 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -83.48 -33.31 25.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.909 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 90.2 t -64.18 -37.35 79.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.244 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.78 112.71 24.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -98.6 26.37 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -148.11 21.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.96 51.49 45.48 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.54 -24.91 9.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 111.353 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.79 15.96 58.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.416 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 69.4 p -125.16 140.04 53.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 25.0 mt -95.37 115.34 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.338 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.7 -166.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 73.3 m-85 -57.51 -84.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -67.11 -14.24 62.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.621 0.248 . . . . 0.0 111.202 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.24 -21.13 31.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.506 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 0.1 OUTLIER -68.76 -8.8 46.46 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.224 179.691 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD1' ' CE1' ' A' ' 78' ' ' PHE . 1.1 mt -95.76 -46.81 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.035 0.445 . . . . 0.0 109.834 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 23.7 t -58.49 -35.77 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.506 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.4 ptm -48.93 -40.19 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.455 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.453 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -92.81 -28.58 16.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.003 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 99.2 t -60.15 -40.35 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -69.73 -22.51 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -105.13 12.92 31.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.8 mtt -113.56 -43.93 3.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.439 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.05 -0.55 31.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -43.05 -29.2 0.33 Allowed 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.467 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.46 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.045 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.413 ' CG ' HD12 ' A' ' 49' ' ' LEU . 1.8 tmm? -53.4 -39.01 63.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.145 0.498 . . . . 0.0 109.895 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.45 ' CD2' ' CG ' ' A' ' 22' ' ' PHE . 9.0 mp -61.15 -37.16 81.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.932 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -90.75 11.19 23.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.89 -75.74 0.34 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.963 0.411 . . . . 0.0 111.843 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.4 ' CD2' ' HE2' ' A' ' 48' ' ' MET . 6.9 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.937 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.679 0.276 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.08 -32.02 63.74 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.306 0.575 . . . . 0.0 110.378 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.45 -51.05 7.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.924 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.2 mm-40 -59.25 -40.53 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.22 -56.71 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.441 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -53.73 -26.04 21.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.91 -21.03 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 83' ' ' VAL . 2.8 m-85 -68.06 -28.33 67.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.819 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.82 169.64 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.55 161.48 20.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.601 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -50.44 -27.29 6.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 110.228 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -60.22 4.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.805 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -24.13 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.219 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.9 mt -78.45 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.04 0.447 . . . . 0.0 110.634 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -24.21 13.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.356 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 1.8 mt-10 -89.0 -33.26 17.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -61.26 -33.08 72.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.652 178.823 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 13.8 tptt -70.4 -16.35 62.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -68.66 0.15 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.414 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . -79.3 -0.67 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.163 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -45.15 -57.15 4.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.738 0.304 . . . . 0.0 111.655 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.83 -51.74 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -27.22 61.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE1' ' CG1' ' A' ' 45' ' ' VAL . 3.1 m-85 -60.26 -75.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.86 119.0 6.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.25 -54.83 6.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 74.2 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 78' ' ' PHE . 54.8 mt -87.49 110.74 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -163.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -35.93 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -80.01 -34.02 38.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -38.21 73.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -57.83 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.11 -27.62 15.38 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.745 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.79 -76.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.2 p -61.09 -25.8 37.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.524 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.85 -32.88 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.176 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -85.03 -26.81 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.699 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.416 ' HE1' ' HG ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -94.1 10.06 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD13 ' CG2' ' A' ' 45' ' ' VAL . 15.1 mt -120.47 -42.41 2.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.667 0.27 . . . . 0.0 111.178 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.49 -40.54 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.665 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.76 162.19 24.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -144.26 48.74 0.92 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.453 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 72.5 Cg_endo -75.86 107.79 2.54 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.236 1.958 . . . . 0.0 112.022 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -175.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -34.06 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -78.34 -38.09 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.73 -49.42 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.94 -24.08 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -29.17 68.15 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.741 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.54 -25.01 59.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.35 -56.21 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.575 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.409 ' HA ' ' HB ' ' A' ' 65' ' ' VAL . 31.0 mt -49.4 -41.62 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.951 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.45 -29.61 16.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -96.69 -33.48 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.185 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.543 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 60.4 t -65.26 -47.19 88.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.667 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 7.1 m-20 -49.44 -45.91 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.04 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 8.4 pt-20 46.27 28.9 0.75 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -165.64 -46.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.98 57.23 0.42 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.32 -23.52 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 111.397 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.68 -12.81 64.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.431 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 11.1 p -115.61 174.78 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 47.7 mt -118.59 116.38 51.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.528 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -60.14 -169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -68.77 -82.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.99 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.31 -24.04 10.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.6 mt-10 -54.37 -31.16 54.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 75' ' ' PHE . 16.4 m-85 -56.52 -18.67 12.37 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.094 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.2 mp -95.13 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.141 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 62.2 t -65.47 -35.03 74.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.543 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 1.8 ptm -47.75 -39.58 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.405 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 mmm -93.11 -24.36 18.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.613 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.423 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 68.0 t -68.86 -28.85 41.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 0.0 110.512 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.45 -16.84 57.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -107.19 -31.18 8.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.025 0.441 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 mtt -67.52 -62.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.961 0.41 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.67 -1.07 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -45.93 -28.69 1.19 Allowed 'General case' 0 N--CA 1.46 0.043 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.001 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.1 -58.65 5.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 4.1 ttp -60.79 -33.18 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 8.5 mp -68.99 -36.45 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.38 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -90.56 12.57 18.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.996 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.42 -75.18 0.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.63 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.621 -179.272 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.468 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -71.43 -13.24 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.36 -51.65 5.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.99 -43.98 82.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HA ' HG23 ' A' ' 83' ' ' VAL . . . -42.68 -59.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.654 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -51.92 -26.81 11.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.767 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.96 -22.68 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -24.72 66.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -112.63 173.39 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 111.004 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 163.28 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.646 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -50.02 -27.83 6.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.091 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.73 -56.99 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.4 ' CE ' ' HE2' ' A' ' 86' ' ' MET . 0.0 OUTLIER -59.58 -20.49 56.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.189 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -83.27 -64.46 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.898 0.38 . . . . 0.0 110.716 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.36 -25.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -89.8 -30.96 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.03 -33.17 72.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.89 179.14 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 15.7 tptm -77.54 -12.32 59.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.785 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.63 -78.74 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 -7.32 41.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.228 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 31.4 t80 -45.44 -28.9 0.97 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.704 0.287 . . . . 0.0 111.59 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.82 -60.0 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtt -59.0 -29.04 66.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -55.78 -71.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.06 119.08 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.156 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -47.01 6.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.892 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.891 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.792 0.33 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 41' ' ' GLU . 82.1 mt -110.15 128.86 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.31 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 t -101.57 -163.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.1 p -73.37 -38.75 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.96 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -72.71 -30.74 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.085 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HB2' HG23 ' A' ' 37' ' ' ILE . 1.8 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' MET . 1.0 OUTLIER -77.43 -48.05 18.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.964 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -56.73 -16.27 16.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.827 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -74.3 -77.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.047 0.451 . . . . 0.0 111.36 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.442 ' N ' ' CG2' ' A' ' 44' ' ' THR . 7.6 p -60.04 -44.03 93.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.452 -178.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.407 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -61.14 -26.89 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 69.6 mtt180 -80.11 -42.84 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.504 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.83 5.66 20.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.04 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 HD12 ' CG2' ' A' ' 45' ' ' VAL . 17.9 mt -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.666 0.27 . . . . 0.0 111.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.57 -38.24 1.31 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.753 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.94 158.34 32.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.807 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 m120 -144.32 52.94 2.0 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 58.6 Cg_endo -71.2 109.42 2.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.564 2.176 . . . . 0.0 112.123 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.3 p -54.78 179.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -57.12 13.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.3 m -60.33 -29.3 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.729 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.47 -61.18 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.53 -30.16 69.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.59 -26.59 65.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.09 53.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.735 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -81.94 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.416 HG23 HD11 ' A' ' 62' ' ' ILE . 50.6 mt -44.28 -48.98 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -48.94 -29.25 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -92.31 -33.21 14.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.159 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 81' ' ' MET . 17.4 t -64.34 -46.78 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.74 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.23 -50.41 73.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.244 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.97 27.78 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.6 -45.2 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.72 53.9 0.44 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 p -117.42 -26.45 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.38 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.25 1.57 75.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.216 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 p -115.95 139.05 50.63 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.51 123.16 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -167.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -66.72 -68.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.67 -20.62 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -54.61 -23.81 18.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 t80 -71.4 -10.08 59.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.716 0.293 . . . . 0.0 110.963 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' O ' HG21 ' A' ' 83' ' ' VAL . 1.3 mp -95.71 -44.52 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 24.1 t -60.75 -32.77 52.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.911 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.481 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.4 ptm -52.63 -40.16 62.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.325 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.418 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 5.4 ttm -84.8 -31.02 24.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 10' ' ' ALA . 88.5 t -59.17 -32.59 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -80.07 -11.09 59.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.011 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -106.92 -28.25 10.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.198 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 10.4 mtt -75.0 -54.07 7.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.22 -1.07 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.261 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 28.0 t70 -49.33 -25.53 2.5 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.48 -62.38 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.0 109.793 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.427 ' N ' HD12 ' B' ' 122' ' ' LEU . 9.0 mp -66.64 -42.4 86.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.169 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.41 16.14 9.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.07 -71.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 111.43 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.402 ' CD1' HG22 ' A' ' 45' ' ' VAL . 7.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.37 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.533 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -70.29 -20.74 63.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.53 -49.53 6.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 27.6 mt-10 -54.0 -41.8 68.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.13 -59.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.49 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -53.39 -28.4 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.38 -18.87 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.341 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -72.1 -10.0 59.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.36 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' CE ' ' A' ' 86' ' ' MET . 2.2 mt -132.34 172.18 12.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.35 161.13 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.91 -26.6 10.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.37 -56.24 24.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.638 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -55.25 -25.8 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.9 mt -74.82 -61.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.008 0.432 . . . . 0.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.23 2.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 1.0 OUTLIER -88.83 -30.51 18.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.82 179.208 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.488 ' CD1' HD23 ' B' ' 122' ' ' LEU . 1.1 m-85 -59.51 -37.03 77.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.935 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 21.7 tptt -78.27 -9.06 59.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.203 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.06 -71.54 0.07 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.55 -0.75 54.29 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.442 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -40.9 -31.84 0.19 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -76.79 -65.49 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.265 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.17 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.399 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CZ ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -57.85 -60.2 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.224 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -60.79 -18.83 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.617 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.96 -68.5 0.09 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.275 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 p-10 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 58.3 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.508 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 54.6 mt -83.18 113.54 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.375 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -163.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.478 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 p -74.11 -24.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -35.68 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.354 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.64 -27.0 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.138 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -60.69 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.152 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.42 -30.67 12.59 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.682 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -54.32 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.093 0.473 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 6.1 p -59.93 -29.84 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.014 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 mmt -74.56 -36.17 63.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.545 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -24.8 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.602 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HE1' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -93.61 10.07 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.604 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.432 ' HG ' ' HE1' ' A' ' 48' ' ' MET . 13.9 mt -121.5 -43.03 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.23 -36.66 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.96 158.4 32.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.358 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -144.09 55.46 3.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -67.91 107.95 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.578 2.186 . . . . 0.0 111.945 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 p -57.56 -177.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -56.93 14.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.88 -31.24 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.37 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.852 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 -40.89 96.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.665 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.95 -24.16 66.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -30.74 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.81 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 mp -82.83 -58.52 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.433 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.6 mt -44.87 -42.45 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.385 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -33.22 26.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 62.7 t -67.77 -45.39 84.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.683 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.9 127.28 32.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.25 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -117.46 26.95 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -149.54 22.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.16 49.96 47.93 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.625 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.56 -27.44 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.226 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.54 9.34 68.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.501 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 9.0 p -122.01 165.28 16.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 110.72 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.508 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 45.1 mt -115.96 121.89 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.596 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.28 -167.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -62.6 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -23.26 63.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.8 mt-10 -54.19 -25.65 23.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 52.5 t80 -64.19 -15.01 59.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.5 mp -95.35 -38.67 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 21.5 t -65.48 -36.15 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.538 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.1 ptm -49.02 -40.18 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.152 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.493 ' HB3' ' HE3' ' A' ' 86' ' ' MET . 4.9 ttm -87.3 -34.15 18.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.565 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 66.9 t -59.47 -34.1 53.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.578 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -18.23 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.182 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -109.11 -13.56 14.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.021 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.493 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtm -86.92 -40.58 14.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 6.2 mtpt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.99 0.424 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.15 -1.29 43.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.692 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.486 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 26.6 t70 -43.96 -28.95 0.51 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.496 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.17 -70.35 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.422 ' HG3' HD11 ' A' ' 49' ' ' LEU . 3.0 ttp -54.57 -31.84 57.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.843 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' A' ' 22' ' ' PHE . 11.1 mp -64.66 -37.37 87.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.164 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -90.33 7.68 37.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.53 -76.5 0.18 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.56 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.706 -179.391 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.7 0.286 . . . . 0.0 111.336 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.507 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -93.27 -15.24 26.04 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.143 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.48 -49.58 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 110.936 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.07 -41.51 92.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.201 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' CB ' HG23 ' A' ' 80' ' ' VAL . . . -46.01 -56.64 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.16 -26.74 18.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.3 -21.67 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.41 ' CD1' ' HD3' ' A' ' 87' ' ' LYS . 2.2 m-85 -71.82 -24.11 61.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -112.46 161.86 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.14 160.19 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -49.95 -27.55 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.66 -54.88 36.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.71 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -20.36 54.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.9 mt -84.74 -64.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.28 -26.35 2.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.24 -32.43 22.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -60.94 -34.23 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 4.4 tppt? -75.38 -14.79 60.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.807 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.81 -73.22 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.095 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.433 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -71.47 -4.11 24.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.279 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 4.8 t80 -47.73 -30.32 3.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -73.12 -66.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -59.09 -27.68 65.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 1.5 m-85 -56.15 -69.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.81 120.21 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.094 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.11 -47.97 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.768 179.799 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 49.3 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 62.5 mt -86.63 124.98 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.255 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 p -95.43 -163.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.522 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -70.61 -55.54 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -34.2 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.76 -29.03 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.146 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.39 -28.32 4.6 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.82 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.423 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -56.69 -78.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.6 p -62.11 -27.47 42.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.811 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.5 mmt -74.33 -29.28 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.401 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -88.79 -26.71 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.561 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.401 ' HE1' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -93.37 10.15 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.635 0.255 . . . . 0.0 111.476 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.429 HD11 ' CG2' ' A' ' 45' ' ' VAL . 17.0 mt -119.88 -41.28 2.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.678 0.275 . . . . 0.0 111.062 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.88 -35.4 0.3 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.7 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 161.19 26.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -144.22 51.21 1.44 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 68.8 Cg_endo -73.72 107.88 2.51 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.562 2.175 . . . . 0.0 112.167 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.1 p -56.45 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.015 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -57.17 -54.79 42.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.45 -30.35 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -54.84 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.18 -34.94 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.63 -24.97 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.8 -31.55 45.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.7 mp -82.04 -56.64 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.529 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.5 mt -46.23 -45.87 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.958 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -54.69 -24.23 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -95.71 -34.59 11.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.522 HG11 ' CB ' ' A' ' 81' ' ' MET . 1.2 m -69.17 -31.79 51.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.644 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.29 110.75 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -26.74 38.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.52 15.94 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.25 58.07 8.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.657 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.81 -22.43 11.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.662 0.268 . . . . 0.0 111.302 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.05 -1.13 87.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.44 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 3.5 p -109.83 157.76 18.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.327 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 76.3 mt -112.6 120.84 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.499 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -169.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -62.14 -70.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.37 -28.59 68.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.6 mt-10 -53.99 -33.57 57.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.267 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.6 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 12.3 t80 -62.34 -15.41 48.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.926 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.5 mp -92.98 -42.69 9.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 15.6 t -62.53 -39.9 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.735 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.6 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -46.9 -41.14 15.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.378 179.806 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.47 ' HB3' ' HE1' ' A' ' 86' ' ' MET . 4.1 ttm -87.58 -32.24 19.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.613 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 65.7 t -61.31 -34.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.8 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -17.05 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.311 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -108.54 -21.84 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.47 ' HE1' ' HB3' ' A' ' 82' ' ' MET . 7.3 mtm -78.27 -55.12 5.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.41 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.989 0.423 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.48 -1.05 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.335 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.429 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 7.9 t0 -46.24 -28.33 1.24 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.696 0.284 . . . . 0.0 111.275 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.2 0.61 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.7 ttp -56.65 -34.18 67.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 109.762 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 8.6 mp -64.16 -38.84 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.1 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -90.22 -6.34 55.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.406 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -57.49 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.988 0.423 . . . . 0.0 111.725 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 45' ' ' VAL . 5.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.323 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 CA--C 1.528 0.117 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.495 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -72.56 -14.58 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.089 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.14 -48.97 6.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 4.3 mt-10 -57.12 -40.65 77.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.186 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.44 -54.13 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.298 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -54.6 -27.1 36.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.754 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.87 -19.91 19.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.239 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m-85 -70.35 -12.07 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.29 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 7.3 mt -126.55 162.9 24.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.82 153.83 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.663 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.77 -28.09 5.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.189 0.518 . . . . 0.0 110.027 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.35 -48.73 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.479 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -16.16 63.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.7 mt -84.54 -63.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -24.62 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.35 -33.19 19.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.248 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CG ' ' CD2' ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.02 -33.3 74.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.47 -12.66 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.617 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.83 -78.28 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.09 -5.88 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 14.1 t80 -46.57 -28.96 1.59 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.695 0.284 . . . . 0.0 111.521 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -61.07 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mtt -59.11 -26.69 64.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CE1' ' CG2' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -56.84 -73.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.26 119.53 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 -51.83 5.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.866 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.477 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 80.4 mt -98.13 127.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -119.18 -164.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.586 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -24.93 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -84.76 -39.21 18.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.319 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HB2' HG22 ' A' ' 37' ' ' ILE . 8.5 mt-10 -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.459 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -82.9 -61.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 111.086 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.99 5.52 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.04 -76.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.98 0.419 . . . . 0.0 111.063 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 44' ' ' THR . 8.2 p -64.35 -24.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.771 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mmt -76.7 -32.43 57.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.4 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -85.43 -28.12 25.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.48 10.17 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.593 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.423 HD11 ' HG3' ' B' ' 121' ' ' MET . 17.8 mt -119.72 -41.08 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -33.7 0.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.375 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.41 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.02 159.76 30.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 55.0 t-20 -144.14 51.74 1.63 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.505 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 71.6 Cg_endo -74.15 107.9 2.54 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.54 2.16 . . . . 0.0 112.077 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -177.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -53.29 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.786 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.17 -32.07 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -60.49 3.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.842 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.52 -31.08 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.73 -27.09 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.89 59.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.6 mp -80.07 -59.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.38 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 mt -45.2 -47.51 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.366 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -34.87 24.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.028 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 88.4 t -65.82 -47.09 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.06 97.89 7.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.228 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -76.11 -25.48 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.749 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -85.11 -29.81 24.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.79 49.78 1.74 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.287 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.41 -21.68 12.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.36 5.4 72.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.435 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.8 p -119.2 141.8 48.56 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.896 0.379 . . . . 0.0 110.807 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 36.0 mt -98.65 119.02 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.393 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.38 -168.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.34 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 7' ' ' GLN . 3.8 mp0 -62.93 -29.23 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.036 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 81' ' ' MET . 9.4 mt-10 -50.87 -26.07 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.306 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.484 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 4.6 t80 -64.32 -13.6 51.16 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.938 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.404 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 3.0 mp -95.38 -44.97 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 24.6 t -61.26 -35.9 69.2 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.74 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.516 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 1.4 ptm -47.54 -40.32 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.339 0.59 . . . . 0.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -93.31 -32.52 14.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.326 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 61.7 t -57.13 -31.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.861 0.362 . . . . 0.0 110.539 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -77.85 -26.48 49.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -103.08 13.04 35.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 4.2 mtm -116.1 -45.32 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' SER . . . . . 0.562 ' C ' ' H ' ' B' ' 119' ' ' ASP . 77.7 p . . . . . 0 CA--C 1.527 0.091 0 N-CA-C 110.736 -0.098 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 68.44 -26.0 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' B' ' 117' ' ' SER . 34.2 t0 -47.45 -30.01 3.09 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 121.043 0.449 . . . . 0.0 110.394 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.34 55.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.423 ' HG3' HD11 ' A' ' 49' ' ' LEU . 3.1 ttp -64.51 -34.27 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.43 ' CD2' ' CG ' ' A' ' 22' ' ' PHE . 8.8 mp -65.28 -39.91 93.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.027 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -90.39 11.72 20.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.178 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.77 -74.44 0.24 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 111.334 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 -179.731 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.503 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 15.7 mp0 -78.78 -20.31 50.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.066 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.14 -50.06 8.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' PHE . 5.2 mm-40 -56.21 -39.02 71.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 109.995 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.64 -58.33 2.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.468 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -53.04 -25.43 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.23 -19.34 18.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -78.14 -24.79 47.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 17.7 mt -106.65 162.18 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.58 161.94 25.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.599 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -50.15 -27.65 6.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.064 0.459 . . . . 0.0 110.113 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.23 -55.47 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.422 ' CE ' ' HE3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -60.3 -20.07 57.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.078 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.7 mt -86.24 -64.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.817 0.341 . . . . 0.0 110.755 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.69 -26.22 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 0.0 110.978 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.051 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HA ' ' HG ' ' B' ' 122' ' ' LEU . 0.0 OUTLIER -60.02 -34.82 73.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.825 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -73.27 -17.19 61.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.774 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.13 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -74.05 -2.63 25.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 16.9 t80 -51.28 -26.56 7.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 111.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -84.69 -61.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -26.4 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE2' ' CE2' ' A' ' 78' ' ' PHE . 2.3 m-85 -55.85 -67.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.09 120.05 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.05 -47.54 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.911 179.818 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.447 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 36.5 m-20 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.481 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 55.8 mt -83.16 116.26 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.0 p -98.03 -164.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.2 p -67.66 -29.15 68.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -81.98 -43.71 17.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.057 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.76 -22.72 37.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -58.71 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.196 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.28 -26.31 9.3 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.656 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.66 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.2 p -62.23 -28.28 44.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.749 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mmt -72.87 -30.71 64.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.3 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -86.2 -30.1 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.26 10.1 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.439 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.449 HD11 ' HG3' ' B' ' 121' ' ' MET . 16.8 mt -119.32 -38.97 2.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.747 0.308 . . . . 0.0 110.997 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.11 -35.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.647 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.98 160.28 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 10.2 t30 -144.12 51.6 1.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 58.9 Cg_endo -71.37 112.66 3.39 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.524 2.149 . . . . 0.0 112.104 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 p -56.12 174.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -48.91 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.28 -36.56 80.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.08 -60.15 4.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.32 -31.79 73.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.81 -25.12 61.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.03 54.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.712 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' ' 65' ' ' VAL . 2.0 mp -79.73 -60.34 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.308 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -45.53 -43.49 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.125 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.014 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.5 t -57.41 -33.71 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.393 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -85.8 -35.9 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 59.5 t -65.49 -50.04 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.529 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.14 110.68 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -100.97 30.62 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.23 -45.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.95 42.75 0.51 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.236 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -24.72 10.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.719 0.295 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.34 9.88 73.66 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.201 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.447 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 10.1 p -120.06 168.44 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 41.7 mt -119.65 120.44 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.916 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -165.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -62.67 -73.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.09 -22.4 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.8 mt-10 -52.52 -27.03 14.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.525 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 30.8 t80 -70.57 -11.09 60.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.139 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 1.2 mp -94.85 -44.01 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.145 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 5.5 p -64.67 -32.56 58.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.056 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.1 ptm -50.87 -41.82 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.284 0.564 . . . . 0.0 110.504 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.461 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 3.4 ttm -76.85 -37.47 55.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.65 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 79' ' ' LEU . 56.7 t -56.97 -34.36 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -15.57 61.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.191 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -109.4 -27.02 9.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 8.6 mtm -72.73 -54.56 8.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 119' ' ' ASP . 63.0 m . . . . . 0 CA--C 1.526 0.058 0 N-CA-C 110.724 -0.102 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 69.09 -40.27 0.45 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 111.449 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.566 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 9.0 t70 -40.74 -30.0 0.11 Allowed 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.747 0.308 . . . . 0.0 111.561 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.96 1.96 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.37 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.449 ' HG3' HD11 ' A' ' 49' ' ' LEU . 8.9 ttp -60.45 -30.54 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' B' ' 119' ' ' ASP . 5.4 mp -64.09 -42.31 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.757 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.23 12.89 16.69 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.411 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -77.21 -71.87 0.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.542 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.406 ' CD1' HG23 ' A' ' 45' ' ' VAL . 8.4 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.69 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.456 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.34 -23.68 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.58 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.678 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' PHE . 10.3 mt-10 -57.08 -42.46 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.932 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.3 -59.73 1.98 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -26.53 22.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.758 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.7 -19.18 20.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.231 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -79.85 -38.79 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.006 -179.62 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.23 156.74 18.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.47 154.83 36.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -28.38 5.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 0.0 110.284 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -47.14 86.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.553 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -66.46 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.456 HD11 HG21 ' A' ' 19' ' ' ILE . 23.7 mt -71.24 -60.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.28 -28.01 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.018 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.96 -31.91 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.918 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CZ ' ' HE2' ' A' ' 82' ' ' MET . 1.4 m-85 -58.42 -34.93 71.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.144 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tmtt? -79.45 -12.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.302 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.05 -72.2 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -77.26 -1.81 31.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.16 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 17.0 t80 -51.03 -26.58 6.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.743 0.306 . . . . 0.0 111.33 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -85.08 -44.8 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.012 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -68.8 -30.22 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.982 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 25.3 m-85 -59.08 -75.63 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -55.27 119.41 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.336 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.54 -46.83 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.735 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.817 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 12.8 m-20 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 19.3 mt -91.78 130.14 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.414 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -105.78 -164.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.63 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 p -71.16 -40.29 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.091 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -72.59 -38.57 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.36 -24.98 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.307 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' CD2' HG22 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -80.28 -59.69 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.297 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.01 14.66 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.649 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.21 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.452 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.5 p -62.07 -27.29 42.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.786 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -31.67 57.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.44 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -87.08 -27.53 23.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.257 . . . . 0.0 111.325 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.47 10.1 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.472 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.8 mt -119.49 -40.92 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.92 -36.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.596 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -67.99 160.8 27.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -144.22 58.65 6.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.29 107.99 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.587 2.192 . . . . 0.0 112.168 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -56.15 179.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -43.28 82.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.6 m -72.63 -30.4 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -59.23 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.23 -31.98 70.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.77 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -21.84 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -31.81 26.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.35 -58.16 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.488 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 62' ' ' ILE . 46.5 mt -45.3 -44.47 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.182 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -39.85 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.314 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -33.29 57.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.259 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.4 t -67.02 -55.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.37 119.32 12.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.942 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.15 28.76 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -155.92 26.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.64 54.92 10.12 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.696 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 p -116.72 -25.42 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 111.473 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.51 11.12 61.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.122 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 25.2 p -111.86 140.23 46.68 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 28.6 mt -105.84 96.58 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.428 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -52.59 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -51.71 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 7' ' ' GLN . 33.2 mp0 -61.21 -27.95 68.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.4 mt-10 -52.87 -23.81 7.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.637 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 55.3 t80 -72.61 -14.79 61.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.257 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CD2' ' A' ' 22' ' ' PHE . 3.1 mp -95.46 -48.32 5.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.8 p -58.67 -35.12 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.876 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.8 ptm -48.13 -41.49 26.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.466 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -85.21 -32.96 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.89 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.636 HG11 ' HD3' ' A' ' 87' ' ' LYS . 65.4 t -57.21 -30.65 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -83.05 -20.79 34.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.061 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 81' ' ' MET . 7.3 mm-40 -112.96 1.41 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.473 ' HG2' ' HA ' ' A' ' 83' ' ' VAL . 1.6 ptp -116.56 -26.43 7.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.034 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.636 ' HD3' HG11 ' A' ' 83' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.785 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.03 0.443 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.77 0.57 43.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.434 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 30.0 t70 -46.38 -28.6 1.39 Allowed 'General case' 0 C--O 1.23 0.067 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.79 -70.16 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.405 ' CE ' ' CD1' ' B' ' 122' ' ' LEU . 0.6 OUTLIER -54.71 -33.1 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.067 0.46 . . . . 0.0 109.897 179.333 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 22' ' ' PHE . 8.6 mp -65.59 -35.49 80.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.177 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -6.6 54.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.29 -71.54 0.11 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 111.67 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.444 -179.302 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.838 0.351 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.401 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -64.01 -33.42 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.72 -53.14 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.916 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.9 mm-40 -53.6 -39.86 65.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . . . -42.76 -61.35 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -52.27 -26.2 11.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.989 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.55 -19.37 20.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.275 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -76.17 -13.4 60.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.241 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -129.19 172.07 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.12 162.3 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.672 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -27.38 5.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.058 0.456 . . . . 0.0 110.123 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.72 -60.63 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.71 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.426 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -55.18 -23.29 21.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.416 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 50.1 mt -73.87 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.09 -27.35 3.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 1.1 mm-40 -78.38 -33.36 48.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 18' ' ' MET . 19.4 m-85 -62.91 -47.35 83.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.48 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.56 -15.56 63.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.976 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -47.95 -71.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.087 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -80.93 -0.81 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -55.6 -30.47 60.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.756 0.312 . . . . 0.0 111.208 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.73 -49.95 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 tpp -68.06 -27.61 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CE1' ' CG1' ' A' ' 45' ' ' VAL . 2.9 m-85 -57.11 -67.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -57.89 118.3 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.55 6.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.985 179.866 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.415 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 57.9 mt -112.95 115.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -104.18 -164.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.2 p -67.11 -20.18 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.258 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -28.87 17.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.311 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.47 -25.16 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.368 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -50.57 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.181 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.71 -21.24 35.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.705 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.8 m -62.47 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 2.7 p -54.94 -37.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.91 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -65.43 -23.76 67.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.513 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.12 -36.17 18.25 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.59 -20.38 43.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 111.336 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' B' ' 121' ' ' MET . 77.6 mt -82.86 -47.49 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.8 -23.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.509 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.81 160.85 27.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.701 0.286 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -144.17 54.34 2.76 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.51 107.68 1.67 Allowed 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.513 2.142 . . . . 0.0 111.866 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.25 173.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -55.54 -45.39 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -32.04 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.652 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -62.29 -66.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.44 -33.8 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.06 -24.36 62.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.05 -32.68 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.792 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.35 -61.56 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.3 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.403 HD11 HG21 ' A' ' 62' ' ' ILE . 51.8 mt -43.84 -35.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.388 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.4 -45.05 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.422 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.39 -37.66 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.397 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 78.6 t -66.36 -63.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.717 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.89 118.02 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.13 26.69 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -148.6 21.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.84 37.66 15.36 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.801 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -92.22 -29.27 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.099 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.81 8.66 73.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.535 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.0 p -118.22 132.89 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.8 116.92 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.57 -165.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -78.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HA ' ' CD1' ' A' ' 79' ' ' LEU . 28.4 mm-40 -62.86 -23.67 67.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.042 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.0 mt-10 -51.43 -28.82 13.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.599 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 32.7 t80 -66.29 -18.92 65.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 76' ' ' GLU . 3.4 mp -90.68 -35.65 14.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 5.1 p -76.63 -34.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.207 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.599 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.3 ptm -50.3 -39.21 44.9 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.777 0.799 . . . . 0.0 110.12 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.521 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 4.3 mmm -76.16 -41.6 49.32 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.29 -31.15 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.03 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -6.95 53.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.344 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 81' ' ' MET . 2.1 mt-30 -116.12 -22.67 8.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.703 0.287 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.521 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 11.8 mtt -79.62 -40.91 28.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.007 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.048 0.452 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.419 ' CB ' ' CE ' ' A' ' 82' ' ' MET . . . -76.44 0.6 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.337 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 123' ' ' ARG . 25.7 t70 -46.29 -26.21 0.77 Allowed 'General case' 0 CA--C 1.527 0.068 0 CA-C-O 120.693 0.282 . . . . 0.0 111.415 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.42 -72.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.42 ' HG3' ' CD1' ' A' ' 49' ' ' LEU . 11.9 ttp -50.78 -41.34 56.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.204 0.526 . . . . 0.0 109.842 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' B' ' 122' ' ' LEU . 1.4 mp -59.88 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.085 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' B' ' 119' ' ' ASP . 8.3 ttt180 -90.55 -21.74 21.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.4 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.999 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.434 ' CD1' HG21 ' A' ' 45' ' ' VAL . 9.3 mt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.886 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.815 0.341 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -58.61 -28.85 66.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.467 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.11 -53.89 6.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.176 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.6 mt-10 -58.86 -42.96 90.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.29 -56.45 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.169 179.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -24.44 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.845 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.26 -16.24 20.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.465 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 87' ' ' LYS . 82.7 t80 -69.24 -27.29 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 0.0 111.232 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -113.37 174.08 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 111.028 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.65 161.51 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.71 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.03 -28.1 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.122 0.487 . . . . 0.0 110.164 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.16 -46.9 88.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.583 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -18.28 60.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.3 mt -81.98 -65.01 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.329 . . . . 0.0 110.776 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.98 -27.21 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.073 0.463 . . . . 0.0 110.816 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -86.51 -31.15 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.952 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' HD23 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.72 -36.12 78.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.29 179.246 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -80.52 -8.44 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.119 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.17 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . . . -74.63 -0.93 19.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.12 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 75' ' ' PHE . 3.8 t80 -47.73 -27.99 2.25 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.741 0.305 . . . . 0.0 111.609 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.57 -49.87 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.302 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.247 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 14.8 m-85 -57.3 -74.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.139 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -50.45 119.58 3.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.5 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -48.94 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.794 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.814 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.431 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 39.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.915 0.388 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 36.6 mt -87.67 131.26 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.173 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -110.06 -164.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.731 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.7 p -68.96 -48.77 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -63.51 -30.67 71.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.92 -25.12 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.193 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.75 -56.13 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.288 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.82 -30.77 22.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.61 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.464 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.6 p -60.24 -30.57 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.027 -179.144 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.435 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.1 mtp -73.54 -34.52 65.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.6 -179.098 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mtp-105 -82.97 -26.7 31.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.593 0.235 . . . . 0.0 111.58 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.431 ' HE2' ' HG ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -94.05 10.15 34.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.688 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.431 ' HG ' ' HE2' ' A' ' 48' ' ' MET . 15.0 mt -121.11 -42.6 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.678 0.275 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.47 -42.54 0.2 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.918 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 25.3 mp0 -67.83 162.2 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.746 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 3.9 m120 -144.33 52.54 1.86 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 51' ' ' GLN . 80.1 Cg_endo -76.72 107.91 2.55 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.503 2.136 . . . . 0.0 112.153 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -176.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -53.15 60.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 23.0 t -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -60.75 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.27 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.02 -25.97 68.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.44 -30.36 53.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.688 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 65' ' ' VAL . 1.7 mp -82.98 -59.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.344 179.368 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.464 HD12 HG23 ' A' ' 62' ' ' ILE . 30.1 mt -43.9 -42.87 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.112 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.2 t -57.57 -47.98 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -32.81 65.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.953 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 53.1 t -63.32 -51.8 66.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.344 179.312 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.75 118.34 17.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -90.05 -24.14 21.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -100.18 19.89 15.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.9 58.84 7.29 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.688 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 p -113.95 -23.9 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.666 0.269 . . . . 0.0 111.358 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.21 1.82 76.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.385 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.431 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 7.7 p -113.23 150.56 32.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 51.1 mt -107.38 120.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.504 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -170.82 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -62.1 -74.79 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -66.76 -25.42 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 81' ' ' MET . 2.8 mt-10 -52.5 -26.14 12.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 18.6 t80 -63.71 -15.13 57.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.113 179.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 22' ' ' PHE . 2.5 mp -95.32 -43.75 7.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.964 0.411 . . . . 0.0 109.942 178.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 54.8 t -62.93 -34.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.648 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.7 ptm -49.89 -41.37 45.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.572 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.405 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -91.55 -28.33 17.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.158 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 90.4 t -59.65 -42.6 88.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.954 0.407 . . . . 0.0 110.279 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -65.04 -26.13 68.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.723 179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -102.97 13.01 35.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 4.4 mtm -116.17 -37.88 3.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 117' ' ' SER . . . . . 0.523 ' C ' ' H ' ' B' ' 119' ' ' ASP . 71.1 m . . . . . 0 CA--C 1.528 0.119 0 N-CA-C 110.521 -0.177 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 118' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' B' ' 122' ' ' LEU . . . 70.75 -23.48 0.17 Allowed 'General case' 0 C--N 1.333 -0.148 0 O-C-N 122.405 -0.185 . . . . 0.0 111.258 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 119' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' B' ' 117' ' ' SER . 11.0 t70 -46.19 -31.04 2.21 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.051 0.453 . . . . 0.0 110.101 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.3 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.109 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 121' ' ' MET . . . . . 0.429 ' CE ' HD12 ' B' ' 122' ' ' LEU . 5.9 ttp -60.08 -39.38 85.87 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . 0.438 HD23 ' CE1' ' A' ' 22' ' ' PHE . 9.4 mp -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.835 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -90.66 11.47 22.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 124' ' ' ALA . . . . . 0.409 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . . . -76.85 -79.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.92 0.39 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.4 HD12 ' CE ' ' A' ' 48' ' ' MET . 6.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.39 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.822 0.344 . . . . 4.38 111.067 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -126.92 142.16 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 3.8 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mtm -139.34 -47.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 3.7 110.945 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 t -161.86 117.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 1.83 110.888 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -96.61 25.23 5.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 2.4 111.068 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.47 -30.83 66.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 2.15 110.786 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -68.27 -29.04 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 2.17 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.7 -51.02 15.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 1.4 111.058 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.37 -28.92 67.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 1.72 110.831 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.94 69.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 1.18 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -59.09 -30.28 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 2.62 110.943 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.85 23.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 1.37 111.163 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.18 -30.87 69.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 3.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.55 151.14 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 1.37 110.841 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 164.44 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 2.08 110.85 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.15 -30.1 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 2.67 110.802 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -38.47 83.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 2.48 110.848 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -45.07 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 1.19 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.415 HG23 HD12 ' A' ' 19' ' ' ILE . 38.2 mt -56.44 -46.79 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 1.45 111.156 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.71 -60.28 3.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 1.55 111.086 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.83 -26.22 68.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 2.01 110.501 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' CE2' ' HG ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -55.8 -35.01 65.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.996 -0.547 . . . . 4.55 110.895 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.28 2.43 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.986 -0.552 . . . . 3.4 111.418 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.831 0.348 . . . . 1.47 111.528 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.6 -1.72 35.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 1.26 111.95 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -52.03 -27.53 14.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.308 . . . . 2.62 111.14 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.98 -54.7 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 2.19 110.842 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 1.99 110.975 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.428 ' CE1' HG21 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -55.45 -70.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 2.39 111.069 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -58.03 118.02 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 1.08 110.947 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.38 -53.34 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.46 111.11 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -76.29 -30.59 57.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.24 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.25 36.33 45.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 1.73 112.558 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.87 31.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 2.05 112.477 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.91 -102.73 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 2.08 112.478 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -166.42 -175.94 3.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 1.37 110.761 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.428 HG21 ' CE1' ' A' ' 29' ' ' PHE . 42.2 mt -95.88 130.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 1.17 111.078 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -115.01 -166.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 2.0 110.712 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.6 p -68.3 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 1.29 110.959 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -47.42 23.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 3.82 110.988 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.28 -29.47 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.53 111.064 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.07 -60.74 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 1.14 111.093 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.7 -23.84 23.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.811 -0.709 . . . . 0.52 112.779 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.2 m -59.57 -76.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.334 . . . . 1.28 111.001 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.21 -24.28 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 1.26 111.486 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mmt -76.99 -29.44 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 1.31 111.153 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -88.72 -27.47 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.34 . . . . 2.93 111.156 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -97.79 35.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 1.39 111.05 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.8 mt -146.39 -47.98 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 1.5 110.908 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.62 -42.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.94 112.506 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.17 166.08 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 2.1 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 7.8 t30 -149.7 53.15 1.23 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 2.42 111.007 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.411 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 63.9 Cg_endo -73.6 107.8 2.48 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.508 2.139 . . . . 0.61 112.2 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -178.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 1.95 111.058 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 2.75 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.48 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 2.02 110.909 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 2.15 110.921 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.19 -38.0 78.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 1.12 110.935 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.57 -30.87 68.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 1.78 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.3 78.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 1.23 111.059 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mp -70.25 -60.48 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 1.25 110.975 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.9 mt -47.0 -37.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.318 -0.401 . . . . 1.13 111.362 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.4 t -59.16 -31.28 68.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 1.2 110.841 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -87.81 -32.41 19.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 1.99 110.728 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.7 t -63.4 -60.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.46 111.039 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.28 102.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 1.16 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.89 -30.08 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 3.3 111.049 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -82.46 -30.99 29.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 1.33 110.993 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.8 53.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.92 112.388 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 -23.09 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 1.13 111.208 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.75 15.15 81.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.671 -0.776 . . . . 0.61 112.567 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.2 p -125.5 140.79 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.816 0.341 . . . . 1.3 110.776 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.6 mt -99.33 121.43 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.12 111.297 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.93 -169.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.74 110.875 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.23 -75.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 3.11 110.889 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -66.55 -25.27 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.408 . . . . 2.25 110.9 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.02 -23.59 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 1.23 111.144 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -70.67 -15.72 62.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 3.25 111.209 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' HG ' ' CE2' ' A' ' 22' ' ' PHE . 1.2 mt -91.81 -37.48 12.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 1.33 111.203 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.96 -26.53 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.78 111.599 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 4.3 ptm -58.01 -35.71 71.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 1.08 110.821 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.73 -30.94 24.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 1.66 110.62 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 30.2 t -66.51 -31.29 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 1.29 110.921 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -73.68 -8.71 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 2.86 111.254 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -115.73 -30.49 6.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.796 0.331 . . . . 2.83 111.111 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 10.9 mtt -63.06 -75.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 1.26 111.2 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -29.56 70.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 3.79 111.128 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -54.51 103.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 4.24 111.123 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.04 86.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 5.63 110.743 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 6.47 110.981 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.813 0.34 . . . . 4.82 111.274 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 6.8 ttt -67.16 -72.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 2.15 110.856 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 59.5 p -86.7 77.68 9.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 1.5 110.861 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -90.16 12.53 17.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 1.25 111.433 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.79 -26.54 62.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 1.46 110.909 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.93 -65.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 1.45 110.953 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 10.8 ttp -61.54 -36.19 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.657 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.424 HD21 ' CE1' ' A' ' 22' ' ' PHE . 10.3 mp -65.55 -36.57 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 1.45 110.65 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -87.93 -17.07 32.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 3.92 111.321 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -50.85 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 1.44 111.338 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 15.1 mt -75.35 -27.65 59.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.47 110.945 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 mt 60.5 158.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 4.12 110.841 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.57 -25.13 34.14 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.759 -0.734 . . . . 3.14 112.569 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.51 48.27 14.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 5.01 110.882 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -46.27 7.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 9.27 110.826 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.1 t60 68.31 -65.72 0.25 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.094 -0.503 . . . . 8.82 111.097 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.325 -0.845 . . . . 11.64 110.985 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.739 0.304 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -105.11 168.81 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -157.16 -46.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 7.1 t -137.6 114.86 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.92 2.19 25.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.467 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -54.84 -23.81 20.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.735 0.302 . . . . 0.0 111.161 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.442 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 9.5 mt-30 -75.25 -23.73 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -51.63 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -58.56 -38.47 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 109.971 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.72 -55.69 5.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.239 179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 ttp85 -53.89 -26.0 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.947 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.01 -16.61 19.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.542 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 82.0 t80 -69.53 -29.64 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.726 0.298 . . . . 0.0 111.187 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.77 178.91 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.39 161.71 14.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.726 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.0 -28.03 6.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.077 0.465 . . . . 0.0 110.13 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.4 -51.47 69.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.561 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -65.69 -20.8 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.066 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.459 HG22 HD11 ' A' ' 19' ' ' ILE . 54.3 mt -80.36 -63.95 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.872 0.368 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.31 -26.95 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -87.65 -31.38 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.866 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CG ' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.94 -35.51 76.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.158 179.218 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -79.36 -8.71 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.96 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -46.01 -73.32 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 112.004 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.44 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -72.53 -4.28 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.277 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' CG ' ' HD2' ' A' ' 23' ' ' LYS . 1.8 t80 -47.18 -28.88 2.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.723 0.297 . . . . 0.0 111.424 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.81 -59.21 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.0 mmt -58.63 -28.71 65.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.545 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 5.8 m-85 -57.74 -73.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -59.6 119.94 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.175 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.89 -49.12 6.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.787 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -88.17 -26.57 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.21 61.51 2.99 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.586 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.24 42.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.574 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.93 29.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.567 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 52.28 -177.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.471 HG22 HD11 ' A' ' 37' ' ' ILE . 65.5 mt -93.83 127.61 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -102.02 -163.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.608 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 p -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -34.58 64.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.362 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.37 -25.81 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.282 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.78 -57.57 3.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 111.202 -179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.9 5.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.84 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.83 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.477 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 6.5 p -60.57 -30.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.85 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.413 ' N ' HG13 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -71.66 -32.92 68.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.607 -179.177 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -84.91 -26.86 27.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -93.84 10.23 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.593 -179.595 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.9 mt -119.73 -41.33 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 111.075 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.72 -39.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.683 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.92 161.4 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 15.7 t30 -144.21 48.78 0.93 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.466 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 72.2 Cg_endo -76.02 107.93 2.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.39 2.06 . . . . 0.0 112.237 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.4 t -64.44 173.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -50.33 -38.26 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.179 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.4 m -68.89 -31.83 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -72.24 -54.62 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.5 mt -66.62 -28.04 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.125 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.43 -24.86 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.802 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.1 -30.06 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.769 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.33 -58.34 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 44.7 mt -45.67 -45.89 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 t -54.75 -42.89 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.399 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.93 -32.67 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.007 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 53.1 t -65.15 -42.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.45 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.71 99.67 11.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.77 -27.79 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.34 -27.99 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.14 53.54 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.344 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 p -110.96 -24.85 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.278 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.64 -7.46 76.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.496 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -105.03 150.53 24.88 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.882 0.372 . . . . 0.0 110.709 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 44.0 mt -107.62 115.12 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.441 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -174.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.89 -78.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -61.02 -26.84 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.491 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.1 mt-10 -52.87 -25.08 10.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.311 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 20.6 t80 -68.21 -15.35 63.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.365 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.7 mp -95.33 -42.31 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.759 0.314 . . . . 0.0 110.448 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 7.8 p -66.38 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.518 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.6 ptm -49.48 -42.55 43.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.593 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.412 ' HG3' ' CE ' ' A' ' 81' ' ' MET . 0.1 OUTLIER -85.78 -23.78 27.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.0 t -68.39 -38.14 78.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.977 0.418 . . . . 0.0 110.06 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -65.63 -24.87 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.774 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -99.3 -25.01 14.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 5.8 mtt -72.31 -39.3 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.585 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.425 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -84.46 57.09 4.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.755 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.65 -172.69 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 60.37 -175.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.163 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 9.3 ttt -101.87 -65.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.748 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.7 p -88.78 53.07 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.43 0.46 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.898 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.85 -29.55 0.82 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.0 -66.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 2.5 ttp -56.13 -34.03 65.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.081 0.467 . . . . 0.0 109.879 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.43 HD21 ' CG ' ' A' ' 22' ' ' PHE . 9.7 mp -65.92 -40.99 91.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.068 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.64 14.17 14.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.51 -75.02 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.463 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.7 mt -76.44 -20.9 56.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.4 mt 56.68 170.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.37 87.51 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 27.9 t -119.93 173.48 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.48 141.56 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -163.71 -67.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 7.6 mttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.874 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.873 0.368 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.32 175.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -176.99 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.1 p -123.71 114.0 19.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.66 -2.02 40.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.454 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -53.63 -24.77 15.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -76.62 -21.56 55.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.94 -50.6 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.85 -37.47 71.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.074 0.464 . . . . 0.0 110.11 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.37 -56.77 4.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.394 179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.98 -26.01 13.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.43 18.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.254 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -24.95 59.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.039 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.414 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.4 OUTLIER -112.24 171.09 7.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.29 160.71 17.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -27.49 7.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.241 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.52 -54.01 50.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -27.57 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 19' ' ' ILE . 39.5 mt -74.66 -63.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.741 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 -26.3 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.191 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -90.26 -30.94 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.903 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -60.27 -33.48 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 179.078 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -79.44 -8.25 58.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.851 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.959 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -76.48 -2.73 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.316 -179.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.418 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -46.44 -28.85 1.49 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.735 0.302 . . . . 0.0 111.538 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.77 -57.2 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.45 -28.28 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.446 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 1.0 OUTLIER -58.71 -75.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -52.35 118.55 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 -48.43 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 p30 -82.45 -22.56 35.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.869 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 37.22 19.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.548 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.16 43.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.96 20.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.665 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 55.82 -175.21 0.05 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.865 0.364 . . . . 0.0 111.075 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.446 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 92.5 mt -100.3 120.25 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.23 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 p -106.78 -164.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.694 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 p -67.1 -28.63 68.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -81.26 -38.16 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.212 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.71 -16.63 63.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.431 HD22 ' CG2' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -83.82 -62.24 1.62 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.63 0.252 . . . . 0.0 111.085 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.32 -28.57 4.64 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.1 m -59.29 -75.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.919 0.39 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' A' ' 44' ' ' THR . 7.3 p -63.89 -25.14 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.933 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -77.51 -32.48 54.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.41 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -83.71 -31.14 26.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.292 . . . . 0.0 111.439 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.405 ' CE ' HD13 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -90.15 10.09 25.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 17.8 mt -119.27 -38.55 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.349 . . . . 0.0 110.999 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.55 -32.41 0.63 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.405 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.01 159.49 30.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.734 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 12.1 t-20 -144.24 51.08 1.39 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.43 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 59.7 Cg_endo -71.74 107.98 2.32 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.503 2.135 . . . . 0.0 112.128 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 p -56.36 -178.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.51 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.07 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.771 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -59.15 5.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 mt -70.26 -36.09 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.744 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.65 -25.49 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.07 -32.09 59.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.3 -60.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 36.6 mt -43.17 -43.74 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.164 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.44 -41.56 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.32 -36.22 61.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.135 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.51 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 78.2 t -65.09 -56.25 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.91 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -81.43 -30.18 33.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.74 51.04 1.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.72 -25.05 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 0.0 111.187 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.21 0.31 85.86 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.559 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 38.7 p -111.65 144.18 41.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.3 mt -102.84 118.84 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -168.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -61.12 -73.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.12 -28.03 69.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.592 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.4 mt-10 -52.1 -27.35 13.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.504 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 11.2 t80 -64.61 -16.04 62.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.157 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.1 mp -95.61 -49.35 5.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.2 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.44 ' HA ' HG23 ' A' ' 83' ' ' VAL . 8.5 p -60.02 -30.56 45.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.579 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.0 OUTLIER -52.77 -42.17 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.445 ' CE ' ' CZ ' ' A' ' 22' ' ' PHE . 2.2 mtp -86.69 -25.61 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG23 ' HA ' ' A' ' 80' ' ' VAL . 75.9 t -61.47 -34.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.084 0.468 . . . . 0.0 110.135 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -73.12 -14.54 61.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.084 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -105.54 -22.39 13.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.874 0.369 . . . . 0.0 110.579 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.414 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 9.2 mtt -78.34 -47.07 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -72.09 -64.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.36 93.21 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.29 153.59 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.105 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.743 0.306 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.88 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.5 p -84.93 54.64 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -86.81 5.34 37.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.838 179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -51.55 -26.77 9.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.869 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.407 ' CE ' ' CD1' ' B' ' 122' ' ' LEU . 1.2 ttp -54.3 -33.61 59.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 109.961 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.477 HD21 ' CE1' ' A' ' 22' ' ' PHE . 7.5 mp -65.67 -39.31 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.338 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -90.29 12.75 17.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.34 -69.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.859 0.361 . . . . 0.0 111.458 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.405 HD13 ' CE ' ' A' ' 48' ' ' MET . 8.5 mt -80.73 -21.01 41.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.372 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 27.8 mt 59.64 159.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.364 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.84 155.15 18.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.54 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 31.5 m -103.89 177.97 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -64.27 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -114.28 139.19 49.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.861 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.807 0.336 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.74 152.91 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.3 mtm -125.91 -50.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.1 t -177.19 109.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -106.51 2.07 25.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.568 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -52.69 -25.92 12.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.422 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.99 -32.8 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.07 15.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.83 -35.44 68.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.851 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.99 -58.57 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.405 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -52.59 -27.07 15.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.84 -19.47 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.252 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -25.63 61.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.988 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 7.4 mt -112.11 165.63 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 160.51 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.678 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -50.04 -28.11 6.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.082 0.468 . . . . 0.0 110.188 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.11 -54.92 38.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.658 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -18.99 60.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.21 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.5 mt -82.56 -63.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.917 0.389 . . . . 0.0 110.75 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.84 -26.34 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -86.45 -32.8 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.104 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -33.61 72.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.753 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 6.3 tptp -74.3 -15.91 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.722 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.7 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.315 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -76.52 -0.91 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.468 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -50.59 -29.29 10.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.762 0.315 . . . . 0.0 111.376 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.19 -62.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.989 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtm -57.26 -26.9 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.507 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 2.1 m-85 -55.83 -69.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -59.08 119.72 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.83 -51.05 5.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.877 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -87.56 -28.26 22.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.93 38.56 13.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.94 37.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.37 24.89 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 56.45 -176.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 79.6 mt -97.97 125.87 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.139 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.87 -164.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.705 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 57.6 p -70.11 -37.51 75.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.144 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -73.43 -35.94 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.23 -24.18 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.14 -56.95 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.331 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.88 -27.69 6.69 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.822 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.64 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.13 0.49 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.5 p -61.38 -28.69 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.988 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -32.73 62.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.624 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -83.03 -28.1 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 111.412 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.02 10.19 32.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.497 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 HD13 ' CG2' ' A' ' 45' ' ' VAL . 16.9 mt -119.19 -39.97 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.04 -39.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.637 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -67.96 156.95 36.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 4.1 t-20 -144.14 48.88 0.95 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.462 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 58.3 Cg_endo -71.69 116.89 4.88 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.41 2.073 . . . . 0.0 112.228 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.6 p -58.38 179.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.12 78.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.45 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -64.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.7 mt -62.91 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -64.69 -28.13 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.54 61.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.2 mp -79.9 -60.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.338 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 39.3 mt -44.63 -44.65 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.84 -38.0 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -78.4 -33.38 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.158 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.8 t -68.03 -54.69 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.62 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.57 112.87 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -99.08 28.39 4.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -149.16 22.1 0.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.43 48.19 55.2 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.697 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -27.75 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 66.95 14.55 63.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.59 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 p -116.38 144.7 43.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.439 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 49.9 mt -103.6 108.04 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.247 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.82 -167.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.29 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -65.57 -21.24 66.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.4 mt-10 -52.57 -26.93 14.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.518 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 35.9 t80 -70.11 -14.42 62.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.88 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 mp -95.07 -32.36 13.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.422 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 6.0 p -79.03 -29.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.518 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.8 ptm -53.11 -41.09 64.67 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.547 0.689 . . . . 0.0 110.09 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.474 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 5.3 mtt -78.21 -33.18 50.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.627 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 52.9 t -67.38 -22.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.965 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -16.84 49.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -108.9 -35.55 6.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.97 0.414 . . . . 0.0 110.481 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.474 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 7.0 mtt -60.27 -58.95 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 81.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -153.62 164.88 37.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -58.97 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.06 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.705 0.288 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 22.2 ttt -89.39 162.66 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.815 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 p 58.49 35.34 24.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.42 ' CB ' ' HE2' ' A' ' 82' ' ' MET . . . -79.04 0.73 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.395 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -47.23 -27.47 1.52 Allowed 'General case' 0 CA--C 1.528 0.101 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.05 -67.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.811 0.338 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.438 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.9 OUTLIER -54.61 -32.25 58.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.438 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.58 -37.85 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.266 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.16 0.65 57.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.009 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.43 ' HB2' ' CD1' ' A' ' 49' ' ' LEU . . . -66.86 -71.91 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.878 0.37 . . . . 0.0 111.691 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 mt -76.81 -24.63 52.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.285 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.5 mt 57.49 171.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -140.98 91.83 0.18 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.0 p -82.62 171.16 14.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -142.39 156.16 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -78.33 157.81 29.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.83 0.348 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -168.27 92.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.7 mmt -143.49 -47.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -162.34 114.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -111.91 2.12 16.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.444 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.43 -26.16 7.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.712 0.291 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.442 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.33 -34.17 74.83 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 110.578 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -52.88 16.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.829 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.42 -35.04 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -49.65 -57.61 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.096 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -26.64 15.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.837 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.51 19.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.269 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.67 -27.15 60.29 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.837 0.351 . . . . 0.0 111.023 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.62 167.31 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 162.61 18.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -50.35 -27.21 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.1 0.476 . . . . 0.0 110.207 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -60.13 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.779 179.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.428 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.27 -24.19 10.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.14 -63.66 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.745 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.93 -26.88 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.992 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 16.8 mt-10 -88.9 -27.96 20.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.046 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CZ ' ' HE2' ' A' ' 82' ' ' MET . 0.1 OUTLIER -63.9 -42.77 97.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.125 179.304 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.21 -14.7 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.852 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.75 -68.76 0.15 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.026 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.444 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -80.91 -2.43 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 26' ' ' PHE . 18.1 t80 -53.82 -24.84 16.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -83.52 -61.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.1 mmt -54.83 -27.28 40.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 3.2 m-85 -57.69 -75.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -55.81 119.82 6.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.163 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.62 -51.87 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.843 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -82.89 -27.93 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.767 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.62 94.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.65 -25.85 0.95 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.549 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.1 -111.37 3.01 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 32.3 m-20 -158.49 -173.49 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.445 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 70.4 mt -93.98 122.32 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 p -107.0 -164.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.645 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.4 p -68.17 -30.37 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.066 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.78 -40.66 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.22 -24.94 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.07 -51.17 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.232 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.75 -20.23 39.05 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.616 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.419 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.5 m -65.6 -79.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.992 0.425 . . . . 0.0 111.254 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.465 HG13 ' CE1' ' A' ' 29' ' ' PHE . 3.2 p -56.5 -38.75 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.169 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.5 mmt -65.07 -24.43 67.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.625 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -88.96 -28.99 19.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.05 10.13 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.528 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' CD1' ' CG2' ' A' ' 45' ' ' VAL . 34.7 mt -115.96 -40.28 3.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.359 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.14 -34.79 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.364 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.9 168.9 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.711 0.291 . . . . 0.0 110.564 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.583 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 1.7 t30 -144.19 44.93 0.5 Allowed Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.583 ' HD3' ' N ' ' A' ' 52' ' ' ASN . 52.1 Cg_exo -52.44 107.83 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 121.92 1.747 . . . . 0.0 112.068 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -60.41 167.88 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -57.03 -28.49 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 p -85.95 -33.32 21.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -58.25 -60.19 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.406 ' CD2' ' CB ' ' A' ' 53' ' ' PRO . 3.0 mt -63.72 -32.48 73.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.669 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.95 -25.23 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.688 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.37 -33.03 37.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.5 mp -78.64 -57.39 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.441 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.3 mt -46.88 -45.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.27 -34.06 71.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -82.65 -33.31 27.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.223 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.3 t -68.1 -49.69 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.98 117.65 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.088 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -102.7 28.03 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -148.6 21.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.07 56.9 12.39 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.73 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -119.58 -35.44 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 79.1 4.9 89.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.634 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.6 p -110.19 144.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.442 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 34.0 mt -105.21 119.0 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.366 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.42 -169.2 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.84 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mp0 -60.82 -29.11 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.711 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.8 mt-10 -53.23 -26.41 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.526 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 19.3 t80 -71.59 -11.98 61.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.096 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 1.2 mp -95.54 -45.49 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 110.048 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.4 p -62.2 -30.3 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.917 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.495 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.1 ptm -53.57 -42.74 67.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.155 0.502 . . . . 0.0 110.381 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.476 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 3.2 ttm -80.08 -28.91 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 73.5 t -63.41 -30.86 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.551 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -77.26 -18.48 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -108.12 -14.61 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.42 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.4 mtm -81.98 -56.58 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.4 ptmt -77.65 75.64 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.75 32.23 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -177.31 -46.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.127 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.638 0.256 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 1.6 ttm -70.83 -66.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p -85.6 53.75 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.297 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.411 ' O ' HD12 ' B' ' 122' ' ' LEU . . . -76.95 -5.65 49.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.798 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -42.79 -27.92 0.21 Allowed 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.93 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.56 -66.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.619 0.247 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -55.26 -39.85 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.432 ' CD2' ' HE2' ' A' ' 82' ' ' MET . 7.6 mp -60.34 -32.61 71.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.07 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 16.7 ttt85 -90.13 -19.83 23.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.4 ' CB ' HD11 ' A' ' 49' ' ' LEU . . . -56.94 -69.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.408 ' CD1' HG23 ' A' ' 45' ' ' VAL . 9.0 mt -82.75 3.35 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.902 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.85 -65.06 0.46 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.753 0.311 . . . . 0.0 111.507 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.42 141.81 15.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.572 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 30.9 t -153.46 -51.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.67 -65.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -93.84 134.47 36.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.7 p -96.88 154.27 17.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.7 mtm -153.29 -64.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.3 t -150.03 119.25 6.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.17 2.3 54.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -50.17 -38.38 39.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.737 0.303 . . . . 0.0 111.297 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.459 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 2.3 mp0 -64.64 -17.3 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.3 -50.55 5.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.26 -43.05 87.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.444 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.66 -57.78 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.532 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -52.81 -29.3 26.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.02 21.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.174 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.27 -19.75 63.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.07 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 9.9 mt -116.28 163.55 15.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.63 163.64 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -50.04 -27.76 6.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -58.62 7.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.641 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.409 ' CE ' ' HE2' ' A' ' 86' ' ' MET . 0.0 OUTLIER -58.41 -21.63 51.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.1 mt -82.09 -64.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.05 -26.32 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.63 -30.95 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.166 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.2 -35.29 76.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.874 179.163 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.449 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 2.5 tptt -78.61 -9.18 59.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.84 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.96 -72.2 0.06 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.017 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -79.58 -0.93 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.415 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 12.5 t80 -52.75 -25.14 10.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.681 0.276 . . . . 0.0 111.48 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.27 -65.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -26.46 23.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 1.5 m-85 -55.85 -70.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -57.16 119.58 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.31 -51.51 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.968 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -81.06 -25.92 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.26 38.73 8.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.48 41.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.543 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.66 20.29 1.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.677 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 94.4 m-20 56.04 -174.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 111.001 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.469 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 79.3 mt -101.42 129.92 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -111.66 -164.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.9 p -70.22 -23.88 63.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.21 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -37.56 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.203 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -64.49 -18.02 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.48 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -81.25 -57.33 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.256 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.48 -26.8 5.39 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.676 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.411 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.5 m -58.72 -79.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.474 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 6.2 p -60.02 -32.67 50.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.973 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 mmt -68.49 -32.09 71.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -83.32 -28.51 28.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 111.563 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -94.12 10.29 34.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.566 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' HG3' ' B' ' 121' ' ' MET . 22.5 mt -118.71 -40.93 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.52 -36.32 0.43 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -67.91 163.54 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 9.5 t30 -144.22 46.67 0.66 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.48 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 98.2 Cg_endo -77.63 107.66 2.42 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.238 1.959 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -60.54 178.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -56.45 -32.64 65.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -73.79 -44.18 56.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.85 -45.82 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.2 mt -78.76 -22.63 46.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.07 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.99 -27.88 63.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.997 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.51 56.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 ' O ' HG21 ' A' ' 65' ' ' VAL . 1.9 mp -80.37 -59.66 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.406 HD12 HG21 ' A' ' 62' ' ' ILE . 51.8 mt -44.75 -47.92 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.38 -34.01 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -83.68 -32.83 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.969 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 39.8 t -64.4 -50.67 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.5 103.0 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -71.53 -26.36 62.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.88 -26.59 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 56.77 1.54 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 -15.55 12.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.63 0.253 . . . . 0.0 111.465 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.55 4.17 69.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.229 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.2 p -114.57 138.79 50.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.831 0.348 . . . . 0.0 110.742 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.453 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.7 mt -98.85 110.48 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.479 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -170.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.09 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.63 -20.21 66.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.1 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.69 -22.83 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.218 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 24.9 t80 -70.98 -9.59 58.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.694 0.283 . . . . 0.0 111.003 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.42 -39.75 9.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 109.984 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 43.5 t -65.81 -32.73 59.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.699 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.519 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.2 ptm -52.93 -41.55 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.404 ' HB3' ' HE3' ' A' ' 86' ' ' MET . 4.0 ttm -84.7 -30.49 24.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.498 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 96.3 t -63.04 -37.92 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -15.94 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.382 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -109.3 -24.57 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 7.4 mtt -73.79 -44.89 54.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -69.78 -33.12 71.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.823 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.85 141.37 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.88 30.94 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.107 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.667 0.27 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 2.1 ttm -84.01 172.55 11.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.0 p 53.76 28.4 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.404 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -67.62 -10.83 55.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -41.22 -28.13 0.09 Allowed 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.09 -61.01 2.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.402 ' HG3' HD13 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -58.44 -37.16 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.063 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' B' ' 122' ' ' LEU . 5.2 mp -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.07 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 13.91 14.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -86.4 -72.39 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.515 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 mt -75.47 -10.58 59.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.632 -179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.17 106.18 0.32 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -158.85 -125.05 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.598 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.24 -73.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -87.52 146.65 25.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.18 31.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 22.5 mttt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.948 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.75 142.38 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mtt -134.77 -55.88 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.2 t -154.28 112.66 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -83.54 2.03 39.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.459 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -52.92 -27.58 19.44 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.421 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -73.1 -18.98 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.58 -49.22 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.96 -37.15 73.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 0.0 109.773 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.405 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . . . -46.97 -57.31 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.312 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.27 -25.92 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.849 179.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.12 19.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -27.16 52.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.972 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 13.9 mt -105.23 154.59 20.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.1 161.23 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.617 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.95 -27.94 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -61.73 -53.74 52.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.645 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -21.99 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -80.92 -64.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.978 0.418 . . . . 0.0 110.643 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -25.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -87.75 -32.69 18.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.147 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.24 -33.47 72.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.904 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -74.98 -17.26 60.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.93 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.23 -74.04 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.19 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.429 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . . . -75.82 -3.52 35.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.421 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 43.9 t80 -52.36 -27.09 14.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.78 -61.09 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mmt -57.68 -28.28 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.541 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 3.0 m-85 -57.01 -74.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -55.42 119.15 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.158 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.9 -46.97 6.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -66.15 -19.85 65.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.981 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.09 -82.69 0.2 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.53 60.29 0.55 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.25 -112.25 3.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.436 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -134.48 -170.75 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.443 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 51.2 mt -123.34 129.48 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.59 -163.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.3 p -65.21 -27.17 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -80.87 -49.86 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.155 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.435 ' HB2' HG21 ' A' ' 37' ' ' ILE . 8.9 mt-10 -55.88 -22.73 27.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.374 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 46' ' ' MET . 0.1 OUTLIER -82.43 -43.91 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.712 0.291 . . . . 0.0 111.124 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.66 -9.98 53.18 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.808 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.438 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -78.46 -75.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.49 . . . . 0.0 111.232 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 5.9 p -58.48 -37.53 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.301 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.43 ' N ' HG12 ' A' ' 45' ' ' VAL . 2.4 mtp -68.25 -30.2 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -81.3 -29.88 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -94.11 10.18 34.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.531 -179.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 HD11 ' CG2' ' A' ' 45' ' ' VAL . 20.1 mt -117.85 -40.42 3.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.59 -39.23 0.36 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.627 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.95 160.39 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.727 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 t30 -144.19 51.13 1.41 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 61.5 Cg_endo -73.77 108.4 2.63 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.458 2.106 . . . . 0.0 112.158 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.78 -177.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -55.23 37.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 p -58.98 -31.66 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -61.62 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.32 -32.82 74.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -65.03 -27.53 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.11 62.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 110.726 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.403 ' O ' HG22 ' A' ' 65' ' ' VAL . 2.4 mp -80.5 -60.05 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.336 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 62' ' ' ILE . 41.9 mt -45.63 -39.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.8 -40.36 97.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.649 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -37.99 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.478 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 60.0 t -66.12 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.35 92.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.035 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.94 -29.89 68.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.84 -28.2 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.42 58.19 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -115.7 -30.21 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.82 -8.17 80.34 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.351 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 55.1 p -104.82 128.36 52.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 22.3 mt -90.59 107.84 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -65.25 -79.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -61.24 -22.76 65.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.132 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.2 mt-10 -52.74 -29.63 28.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.592 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.9 t80 -67.2 -14.7 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.743 0.306 . . . . 0.0 110.752 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -92.73 -40.98 10.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.604 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.421 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 6.8 p -69.18 -37.42 76.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.592 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.1 ptm -49.04 -41.35 34.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.681 0.753 . . . . 0.0 110.201 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.501 ' H ' ' HG3' ' A' ' 81' ' ' MET . 32.9 mtp -75.6 -30.54 59.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.772 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 50.4 t -69.37 -31.41 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.677 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -22.39 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -106.04 -20.43 13.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtm -75.8 -40.37 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.1 mtpp -70.53 66.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.73 -69.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -161.85 -46.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.245 -0.884 . . . . 0.0 111.082 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.775 0.321 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.6 p -77.14 60.62 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.409 ' CB ' ' CE ' ' A' ' 82' ' ' MET . . . -81.36 -0.39 41.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.03 -26.51 2.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.183 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.69 -69.54 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.403 ' CE ' ' CD1' ' B' ' 122' ' ' LEU . 0.7 OUTLIER -54.03 -32.4 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 110.194 179.318 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.403 ' CD1' ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.87 -39.24 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.278 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 39.0 ttp85 -90.2 10.64 23.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.35 -70.34 0.48 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.98 0.419 . . . . 0.0 111.345 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 25' ' ' ALA . 8.1 mt -78.73 -14.61 59.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.322 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.7 mt 64.37 -75.63 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.159 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.79 85.55 1.83 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.547 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 91.6 p -155.08 94.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -98.66 31.32 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 32.73 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.846 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.339 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -87.05 -177.82 6.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mmt -166.04 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.1 t -154.63 122.08 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.742 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.5 -0.75 27.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.753 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -54.5 -23.74 17.62 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.427 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.6 mt-30 -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.31 -50.06 10.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.2 mt-10 -57.08 -37.12 71.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 109.855 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.66 -61.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.386 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -51.53 -26.98 9.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.62 -22.2 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.13 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.1 t80 -77.24 -27.03 53.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.71 153.43 21.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 161.3 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -27.29 5.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.055 0.455 . . . . 0.0 110.224 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.03 -57.41 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.767 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.419 ' CE ' ' HE2' ' A' ' 86' ' ' MET . 0.1 OUTLIER -54.94 -22.43 14.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.332 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.474 HD13 HG21 ' A' ' 19' ' ' ILE . 36.9 mt -80.31 -63.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 110.797 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.97 -25.67 1.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.402 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.45 -30.82 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.447 ' CD2' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.76 -34.31 74.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.81 179.112 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 10.0 tptt -75.0 -13.14 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.734 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.42 ' CB ' ' HB2' ' B' ' 126' ' ' LEU . . . -44.85 -80.13 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.31 -6.48 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -46.17 -29.85 1.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.655 0.264 . . . . 0.0 111.53 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -82.07 -59.7 2.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -59.26 -26.66 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -58.69 -71.42 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -53.86 118.29 3.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.65 -46.16 6.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.049 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -64.61 -18.84 65.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.43 -65.22 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.487 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.92 34.09 0.35 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.584 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.68 -105.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.267 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -139.86 -178.99 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.924 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 29' ' ' PHE . 96.8 mt -111.34 118.84 58.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.276 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -102.78 -162.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.729 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 76.3 p -69.58 -27.85 65.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.254 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -26.54 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.421 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -74.31 -21.52 59.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.44 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.443 HD23 ' CG2' ' A' ' 37' ' ' ILE . 0.3 OUTLIER -79.29 -61.68 1.93 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.69 0.281 . . . . 0.0 111.081 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.29 -28.41 3.21 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.575 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.65 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.434 HG11 ' CE2' ' A' ' 29' ' ' PHE . 8.0 p -64.88 -25.08 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.814 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.04 -31.57 58.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.621 0.248 . . . . 0.0 111.334 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -83.79 -31.28 25.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.381 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -90.13 10.1 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.424 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.418 ' CD1' ' HB1' ' B' ' 124' ' ' ALA . 17.6 mt -118.83 -37.83 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.056 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.21 -34.26 0.66 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.652 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.98 157.25 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.795 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.9 t-20 -144.18 50.3 1.23 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 47.9 Cg_endo -68.35 107.85 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.461 2.107 . . . . 0.0 112.038 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 t -54.34 173.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.001 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -23.76 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 54.3 m -83.57 -30.3 27.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 0.0 111.306 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -66.45 -54.18 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.106 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.4 -15.01 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.7 -29.39 27.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.831 0.348 . . . . 0.0 110.789 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.43 62.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.5 mp -78.93 -64.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 62' ' ' ILE . 50.2 mt -44.77 -31.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.75 -41.26 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.31 -40.81 58.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.478 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 46.2 t -63.85 -50.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.834 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -75.83 80.66 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.22 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.49 -28.59 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.54 58.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 p -116.43 -31.87 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.91 -10.33 74.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.406 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.7 p -104.96 138.8 40.62 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.882 0.372 . . . . 0.0 110.758 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 36.1 mt -97.95 116.55 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.53 -171.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.16 -69.08 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.077 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.7 mp0 -70.65 -25.33 62.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 81' ' ' MET . 11.2 mt-10 -51.49 -25.63 6.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.469 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.517 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 9.6 t80 -67.35 -14.22 62.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.125 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 1.4 mp -95.32 -44.96 7.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.284 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 9.0 p -64.51 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.1 ptm -53.94 -42.55 68.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.115 0.484 . . . . 0.0 110.252 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.432 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 3.7 ttm -79.74 -30.89 40.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 87.7 t -61.53 -42.42 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -17.24 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.396 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -108.48 -23.9 11.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.432 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.9 mtm -74.68 -39.93 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -70.1 -50.76 37.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.53 91.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -94.57 -31.63 13.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.054 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' B' ' 117' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.686 0.279 . . . . 0.0 111.145 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.5 -70.22 0.1 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.047 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 115' ' ' ARG . 17.2 p -90.66 39.38 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.7 -10.96 60.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.411 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 42.9 t0 -43.29 -28.83 0.35 Allowed 'General case' 0 CA--C 1.527 0.059 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.671 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.36 -61.01 2.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 4.0 ttp -59.62 -33.3 71.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 109.9 179.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.448 HD11 ' N ' ' B' ' 122' ' ' LEU . 9.2 mp -66.61 -37.05 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.908 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -90.42 11.76 20.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.616 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.418 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -78.93 -68.36 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.012 0.434 . . . . 0.0 111.821 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.401 ' CD1' HG21 ' A' ' 45' ' ' VAL . 10.9 mt -77.06 -20.57 55.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.783 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.42 ' HB2' ' CB ' ' A' ' 24' ' ' ALA . 16.9 mt -146.83 119.07 8.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -160.23 40.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 33.8 p -108.97 162.25 14.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.05 123.69 16.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -74.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.84 0.352 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -87.15 116.86 25.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.1 mtm -154.68 -171.89 4.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.0 t -77.13 107.01 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -104.47 2.21 30.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.437 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -49.74 -28.81 6.63 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.743 0.306 . . . . 0.0 111.256 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.413 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 3.6 mt-30 -69.87 -25.68 63.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.86 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.61 -37.05 67.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.174 0.511 . . . . 0.0 109.744 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.77 -57.29 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.181 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -27.84 17.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.027 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.17 -19.91 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD2' HG13 ' A' ' 83' ' ' VAL . 6.6 m-85 -74.83 -18.66 60.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.235 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -120.97 168.09 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.939 0.399 . . . . 0.0 111.013 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.53 162.06 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -27.76 6.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 0.0 110.215 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.1 -57.24 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.674 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -20.82 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -81.01 -61.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.9 -27.08 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.267 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.429 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 16.2 mt-10 -88.68 -31.26 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.877 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.82 -34.56 73.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.142 179.182 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.962 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.11 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.77 -4.74 29.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.2 t80 -46.76 -28.33 1.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.69 0.281 . . . . 0.0 111.593 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.5 -56.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.2 mmt -58.37 -35.11 71.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CE2' HG11 ' A' ' 45' ' ' VAL . 1.7 m-85 -54.51 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -58.17 119.02 6.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -50.98 5.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -88.96 -29.47 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.724 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.12 54.14 5.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.587 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.0 37.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.622 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.67 28.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.647 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.443 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 97.2 m-20 52.72 -173.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.446 HD12 HG22 ' A' ' 37' ' ' ILE . 81.1 mt -96.57 126.95 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.77 -164.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.734 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.3 p -66.86 -43.49 83.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.102 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.93 -41.76 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.51 -22.69 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.388 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 ' CD2' ' CG2' ' A' ' 37' ' ' ILE . 0.9 OUTLIER -81.5 -60.33 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.043 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.437 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -46.29 -26.98 2.54 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.953 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.41 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.8 m -65.01 -80.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.434 . . . . 0.0 111.149 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.488 HG11 ' CE2' ' A' ' 29' ' ' PHE . 4.0 p -57.11 -36.22 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.15 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.4 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.59 -32.41 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 7.6 mtp-105 -84.64 -27.56 27.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.659 0.266 . . . . 0.0 111.689 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.408 ' CE ' HD11 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -92.82 10.17 32.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.63 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 HD13 ' CG2' ' A' ' 45' ' ' VAL . 15.2 mt -119.81 -39.93 2.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.698 0.285 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 161.3 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.8 t-20 -144.16 48.52 0.9 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.387 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 72.5 Cg_endo -75.62 107.84 2.56 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.434 2.09 . . . . 0.0 112.12 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -175.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -58.72 -39.53 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.58 -36.32 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -62.51 -53.37 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.3 mt -70.82 -28.42 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.14 -26.17 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.18 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.9 mp -83.03 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.419 HD12 HG22 ' A' ' 62' ' ' ILE . 48.2 mt -43.23 -40.95 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.134 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.02 -45.9 91.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.62 -33.24 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.493 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 76.8 t -64.7 -48.2 85.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.565 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.8 119.14 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.043 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.24 -26.44 21.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -99.3 20.23 14.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.46 53.44 20.41 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.662 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.73 -18.36 13.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.25 . . . . 0.0 111.329 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.41 11.46 62.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.358 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 56.5 p -117.23 148.28 41.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.402 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 24.3 mt -115.55 110.1 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.488 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -73.31 -167.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.756 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.95 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.722 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.26 -30.03 61.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.731 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.2 mt-10 -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.361 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.8 t80 -64.26 -15.81 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.378 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.461 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 2.5 mp -95.5 -44.75 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 110.411 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.5 p -64.32 -32.51 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.655 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.538 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -50.77 -42.77 58.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.458 ' CE ' ' CZ ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -86.55 -24.78 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.075 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.414 HG13 ' CD2' ' A' ' 13' ' ' PHE . 91.9 t -65.64 -39.35 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.978 0.418 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -69.65 -16.0 63.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -103.47 -30.92 10.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.37 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.426 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 8.0 mtt -67.93 -56.1 10.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.693 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -74.59 -46.28 39.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.63 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -103.98 87.68 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.101 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.825 0.345 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 4.3 ttt -72.47 151.16 42.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t 56.56 39.12 30.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.47 4.83 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.643 178.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -45.14 -28.85 0.8 Allowed 'General case' 0 C--N 1.338 0.082 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.893 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.38 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.695 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 11.3 ttp -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 109.825 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.441 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 9.4 mp -64.94 -36.15 83.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.205 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -90.75 12.81 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.67 -70.15 0.6 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.89 0.376 . . . . 0.0 111.869 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.408 HD11 ' CE ' ' A' ' 48' ' ' MET . 7.3 mt -79.75 -8.2 59.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.863 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.58 101.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.763 0.316 . . . . 0.0 110.964 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 110.2 159.99 17.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.08 154.92 28.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.828 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.73 128.71 31.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.79 162.87 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.765 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.99 150.43 27.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -174.33 -60.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.0 t -176.21 119.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -82.86 2.16 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.59 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -24.75 9.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.687 0.28 . . . . 0.0 111.357 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.444 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.07 -9.2 59.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.247 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.41 -50.92 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.318 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -54.89 -42.89 72.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.258 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' CB ' ' CG2' ' A' ' 80' ' ' VAL . . . -43.88 -57.48 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.439 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -25.7 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.794 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.04 -19.69 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' CE1' ' HD2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -69.44 -12.96 62.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.288 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -126.73 167.6 15.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.48 160.63 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.83 -27.96 5.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.19 0.519 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.98 -53.71 51.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.597 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.417 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -64.47 -22.1 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.078 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 60.9 mt -78.36 -64.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.709 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.21 -27.42 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.15 -32.42 18.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.389 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CG ' HD22 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -60.59 -34.79 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.266 179.373 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -78.93 -11.52 60.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.115 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.44 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.62 -6.6 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.286 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -43.66 -30.42 0.62 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.712 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.04 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.4 mmm -57.68 -28.35 63.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.458 ' CD1' ' CD1' ' A' ' 37' ' ' ILE . 0.6 OUTLIER -58.17 -74.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -55.01 119.06 4.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -83.52 -25.31 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.0 32.17 27.02 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.591 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.68 39.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.47 20.21 1.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.607 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 54.67 -176.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 85.9 mt -98.41 116.13 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.26 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -97.61 -163.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.682 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 23.6 p -67.24 -38.74 85.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.242 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.97 63.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.96 -22.46 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.407 HD22 ' CG2' ' A' ' 37' ' ' ILE . 0.4 OUTLIER -80.56 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 111.032 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -47.17 -29.22 4.74 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.602 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -58.07 -78.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 44' ' ' THR . 7.4 p -61.81 -27.11 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.916 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.405 ' N ' HG11 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -75.93 -32.4 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.566 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 84.8 mtt180 -85.76 -28.43 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.649 0.261 . . . . 0.0 111.353 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.69 10.2 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.506 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.6 mt -120.1 -40.54 2.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.769 0.318 . . . . 0.0 110.97 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -35.52 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.66 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.95 158.42 32.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t-20 -144.23 50.57 1.28 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 59.9 Cg_endo -72.25 113.57 3.74 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.472 2.114 . . . . 0.0 112.272 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.02 -170.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.1 tptt -65.8 -54.67 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -34.19 68.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.33 -59.71 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -67.21 -31.23 71.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.03 -24.98 62.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.98 -33.95 57.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 110.739 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.408 ' O ' HG22 ' A' ' 65' ' ' VAL . 1.8 mp -76.64 -60.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 62' ' ' ILE . 48.2 mt -43.96 -49.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -36.07 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.342 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -33.93 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.745 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.529 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 86.3 t -65.29 -58.43 7.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.311 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.68 114.85 4.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.232 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -89.16 -23.04 22.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -102.45 18.98 19.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 50.69 56.86 11.96 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.54 -18.93 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.562 0.22 . . . . 0.0 111.321 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.16 8.67 62.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.308 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 p -121.92 146.55 47.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.915 0.388 . . . . 0.0 110.752 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.464 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.5 mt -103.82 118.77 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.294 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -168.72 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -61.48 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.63 -24.57 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.9 mt-10 -53.65 -25.12 16.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.171 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.478 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 19.0 t80 -62.91 -16.01 57.43 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.758 0.313 . . . . 0.0 110.938 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.402 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.3 mp -95.25 -38.91 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 109.919 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.444 HG21 ' HA ' ' A' ' 7' ' ' GLN . 25.1 t -67.75 -37.37 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.836 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.529 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 2.0 ptm -45.48 -38.64 6.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.666 0.745 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.412 ' HG3' ' HE2' ' A' ' 81' ' ' MET . 1.1 mmm -92.82 -27.97 16.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.36 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.409 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 99.8 t -65.8 -42.07 91.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.874 0.368 . . . . 0.0 110.609 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.56 -27.18 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.211 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.85 12.6 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.417 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.421 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 2.5 mtt -103.91 -46.95 4.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.314 . . . . 0.0 110.7 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 2.7 mtpp -57.82 -32.91 68.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.14 -32.72 74.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.59 -30.9 68.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.127 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.696 0.284 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 4.2 ttp -93.4 -66.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 11.2 p -82.33 59.39 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.829 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.52 -1.97 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.964 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -45.06 -29.4 0.87 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.753 0.311 . . . . 0.0 110.939 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.54 -67.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 4.3 ttp -55.86 -34.61 65.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.183 0.516 . . . . 0.0 109.835 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.442 HD22 ' CG ' ' A' ' 22' ' ' PHE . 10.9 mp -64.56 -41.12 96.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.56 12.53 18.5 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.123 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.29 -73.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 111.411 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 7.1 mt -77.12 -19.99 56.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.397 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 18.2 mt 60.4 157.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.927 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.11 132.25 9.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.78 30.8 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.07 128.72 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -153.43 172.94 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.76 0.314 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -96.42 172.96 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -134.82 -46.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.8 t -143.84 108.07 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -102.43 2.07 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.499 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -53.71 -24.02 13.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 2.2 mt-30 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.95 -48.66 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.759 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.58 -35.92 54.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.231 0.539 . . . . 0.0 109.751 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.409 ' HB2' HG22 ' A' ' 83' ' ' VAL . . . -45.54 -60.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.339 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.4 ttp180 -51.65 -27.38 11.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.68 -21.18 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.195 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -24.62 54.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 14.1 mt -109.02 158.94 17.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.28 160.31 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.601 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.83 -27.79 5.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 0.0 110.163 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.63 16.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.744 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -21.19 47.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' PHE . 36.4 mt -80.66 -63.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.91 0.386 . . . . 0.0 110.724 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.37 -28.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.001 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -87.26 -33.92 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.985 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.07 -35.6 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.891 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -70.56 -21.43 62.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.893 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.03 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.464 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.423 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . . . -77.08 -1.03 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.465 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 8.2 t80 -52.62 -25.45 10.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 111.48 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.91 -63.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 11.6 mtt -56.83 -25.59 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.496 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 1.5 m-85 -55.0 -66.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.59 120.31 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -50.71 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -88.14 -27.88 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.96 35.97 11.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.544 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.36 39.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.535 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.17 23.98 0.78 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.619 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 57.17 -177.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 78.6 mt -96.92 117.85 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -91.23 -164.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.27 -55.87 13.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.041 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -61.26 -36.06 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.59 -24.14 45.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.71 -57.03 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.24 -27.1 7.14 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.684 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -55.52 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 111.065 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.485 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.3 p -62.77 -26.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.781 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.07 -30.86 61.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 -28.83 21.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.639 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -91.23 10.05 28.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.564 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 ' CG2' ' A' ' 45' ' ' VAL . 18.4 mt -119.45 -39.93 2.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.5 -34.67 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.544 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.92 159.79 29.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.799 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 5.4 t-20 -144.23 50.32 1.23 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 72.1 Cg_endo -73.69 107.89 2.51 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.429 2.086 . . . . 0.0 112.11 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -179.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.998 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.7 tptt -56.19 -46.89 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -31.3 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -55.19 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.2 mt -73.38 -31.58 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.639 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.06 -27.02 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -29.9 57.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.78 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.6 mp -82.96 -60.78 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.374 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.407 HG23 HD11 ' A' ' 62' ' ' ILE . 41.7 mt -43.34 -43.63 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.1 t -56.67 -44.98 81.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.225 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.77 -32.18 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.994 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 81.0 t -65.87 -46.55 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.473 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.79 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.078 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -27.54 62.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -82.6 -29.99 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.007 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.96 52.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.315 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.67 -26.47 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.25 -5.48 82.97 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.595 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 p -105.25 148.84 26.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.4 mt -105.33 112.31 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.37 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -169.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -58.31 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -68.0 -19.01 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.051 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -52.62 -27.01 15.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.008 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.511 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 25.1 t80 -72.35 -11.01 60.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.063 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.449 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -95.19 -35.67 11.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.808 0.337 . . . . 0.0 110.693 179.562 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.463 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 4.2 p -74.26 -32.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.9 ptm -50.93 -40.89 58.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.325 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.496 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 4.7 mtt -74.32 -37.7 63.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.882 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.409 HG22 ' HB2' ' A' ' 10' ' ' ALA . 41.7 t -63.37 -37.86 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -19.66 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.257 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 81' ' ' MET . 1.9 mm-40 -110.03 -25.39 10.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.496 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtt -70.76 -34.11 71.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.78 -27.24 65.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 64.62 152.37 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.31 154.36 29.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.049 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 47.3 ttp180 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 59.08 161.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 26.8 p 48.69 30.59 2.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.022 0.439 . . . . 0.0 110.61 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.441 ' CB ' ' HE3' ' A' ' 82' ' ' MET . . . -77.87 0.64 23.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.294 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -44.78 -28.46 0.64 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.685 0.279 . . . . 0.0 111.29 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.53 -65.11 0.62 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 4.4 ttp -56.4 -35.25 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 0.0 110.059 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.4 ' CD1' ' HE3' ' A' ' 82' ' ' MET . 9.0 mp -66.3 -36.87 84.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.177 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -90.26 11.87 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 49' ' ' LEU . . . -79.72 -73.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 111.45 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.5 mt -74.98 -20.33 59.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.379 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 13.0 mt 61.81 150.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.92 0.39 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.01 50.22 0.85 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 34.5 m -96.14 84.94 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -64.69 80.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.85 169.25 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.863 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.852 0.358 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -115.35 135.23 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -162.21 -44.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -166.14 121.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -77.8 -1.85 33.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.601 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -52.36 -28.6 20.1 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.83 0.348 . . . . 0.0 110.837 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -73.91 -12.93 60.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.12 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.15 -49.99 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.33 -41.73 69.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 79' ' ' LEU . . . -43.32 -61.19 1.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.528 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ttp180 -52.11 -26.17 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.806 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.75 -20.75 20.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.239 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.439 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 67.3 t80 -67.34 -32.62 73.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -107.0 164.95 11.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 160.39 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -27.77 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 110.041 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.34 -63.37 1.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.644 179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -23.74 9.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.457 HG21 HD11 ' A' ' 19' ' ' ILE . 44.7 mt -75.33 -60.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.081 0.467 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.15 -24.51 10.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.46 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -86.58 -34.11 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.194 179.425 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CZ ' ' O ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -62.36 -34.5 76.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.227 179.537 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -17.87 62.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.34 179.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.483 ' HB2' ' N ' ' B' ' 126' ' ' LEU . . . -48.05 -70.93 0.08 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.82 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.43 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -66.72 -10.27 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.148 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -49.65 -28.64 6.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -76.72 -60.75 2.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.826 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.6 mmt -61.73 -29.06 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.43 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 2.6 m-85 -55.34 -63.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -68.37 119.7 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.29 -50.75 5.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -88.45 -27.81 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.98 92.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.09 -27.18 0.38 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.11 -110.24 3.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.42 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 61.4 m-20 -149.42 -175.85 5.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 61.3 mt -91.04 117.64 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.05 -164.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -45.76 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -67.71 -29.37 68.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.06 -25.85 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.245 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -82.94 -56.8 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 111.179 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.99 -26.22 26.43 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.4 m -58.01 -79.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.928 0.394 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.428 HG12 ' CE1' ' A' ' 29' ' ' PHE . 2.7 p -55.43 -26.42 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mmt -79.62 -29.65 41.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -87.03 -26.27 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.542 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.4 ' HE2' ' CD2' ' B' ' 125' ' ' LEU . 0.2 OUTLIER -89.98 -11.97 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.478 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 HD12 ' CG ' ' B' ' 121' ' ' MET . 30.6 mt -94.73 -50.13 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 111.184 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.31 -30.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.581 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -67.73 162.19 24.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.649 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -144.26 55.05 3.1 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.284 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.416 ' HB2' ' HG ' ' A' ' 58' ' ' LEU . 50.8 Cg_endo -67.83 107.94 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.471 2.114 . . . . 0.0 111.846 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.0 p -52.48 171.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.286 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -56.69 16.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -31.52 68.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.63 -63.84 1.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.416 ' HG ' ' HB2' ' A' ' 53' ' ' PRO . 5.7 mt -60.35 -30.48 69.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.768 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -26.57 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.1 -29.87 58.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp -80.49 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.298 179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 40.5 mt -44.71 -47.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.91 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -53.62 -37.03 62.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.274 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -83.48 -33.31 25.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.909 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.499 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 90.2 t -64.18 -37.35 79.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.244 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.78 112.71 24.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -98.6 26.37 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -148.11 21.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.96 51.49 45.48 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.54 -24.91 9.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 111.353 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 63.79 15.96 58.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.416 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 69.4 p -125.16 140.04 53.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 25.0 mt -95.37 115.34 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.338 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.7 -166.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 73.3 m-85 -57.51 -84.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.3 pm0 -67.11 -14.24 62.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.621 0.248 . . . . 0.0 111.202 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.24 -21.13 31.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.506 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 0.1 OUTLIER -68.76 -8.8 46.46 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.224 179.691 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.424 ' CD1' ' CE1' ' A' ' 78' ' ' PHE . 1.1 mt -95.76 -46.81 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.035 0.445 . . . . 0.0 109.834 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.463 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 23.7 t -58.49 -35.77 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.506 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.4 ptm -48.93 -40.19 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.455 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.453 ' HE2' ' CE2' ' A' ' 22' ' ' PHE . 0.4 OUTLIER -92.81 -28.58 16.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.003 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.445 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 99.2 t -60.15 -40.35 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.8 mtt-85 -69.73 -22.51 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -105.13 12.92 31.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 4.8 mtt -113.56 -43.93 3.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.439 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -55.73 -66.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.15 172.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.72 30.62 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.247 -0.883 . . . . 0.0 111.094 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.755 0.312 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 22.1 ttp -94.19 162.15 13.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.9 p 57.15 35.87 26.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.05 -0.55 31.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -43.05 -29.2 0.33 Allowed 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.467 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.46 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.045 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.413 ' CG ' HD12 ' A' ' 49' ' ' LEU . 1.8 tmm? -53.4 -39.01 63.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.145 0.498 . . . . 0.0 109.895 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.45 ' CD2' ' CG ' ' A' ' 22' ' ' PHE . 9.0 mp -61.15 -37.16 81.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.932 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -90.75 11.19 23.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -84.89 -75.74 0.34 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.963 0.411 . . . . 0.0 111.843 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.4 ' CD2' ' HE2' ' A' ' 48' ' ' MET . 6.9 mt -73.08 -7.27 50.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.937 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.483 ' N ' ' HB2' ' A' ' 24' ' ' ALA . 1.1 tt -51.21 118.83 3.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.866 0.365 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 79.29 96.47 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.7 m -120.1 111.02 17.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.74 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -111.83 179.67 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 pttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.874 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.854 0.359 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -110.07 169.21 8.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.03 -48.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.7 t -179.38 117.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -112.16 2.31 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.622 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -46.16 -33.59 3.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.679 0.276 . . . . 0.0 111.471 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.08 -32.02 63.74 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.306 0.575 . . . . 0.0 110.378 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.45 -51.05 7.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.924 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.2 mm-40 -59.25 -40.53 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.22 -56.71 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.441 179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtp85 -53.73 -26.04 21.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.91 -21.03 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.42 ' CD2' HG11 ' A' ' 83' ' ' VAL . 2.8 m-85 -68.06 -28.33 67.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.819 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.82 169.64 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.55 161.48 20.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.601 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -50.44 -27.29 6.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 110.228 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.25 -60.22 4.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.805 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -24.13 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.219 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 78.9 mt -78.45 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.04 0.447 . . . . 0.0 110.634 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -24.21 13.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.356 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 1.8 mt-10 -89.0 -33.26 17.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -61.26 -33.08 72.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.652 178.823 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 13.8 tptt -70.4 -16.35 62.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.4 ' HB3' ' N ' ' B' ' 126' ' ' LEU . . . -51.47 -68.66 0.15 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.666 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' O ' ' CD2' ' A' ' 29' ' ' PHE . . . -79.3 -0.67 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.163 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -45.15 -57.15 4.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.738 0.304 . . . . 0.0 111.655 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.83 -51.74 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -27.22 61.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE1' ' CG1' ' A' ' 45' ' ' VAL . 3.1 m-85 -60.26 -75.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.86 119.0 6.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.25 -54.83 6.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -81.26 -30.7 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.74 102.57 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.87 -27.12 0.73 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.97 -110.05 3.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 74.2 m-20 -144.1 -179.13 6.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.465 HD11 ' CE1' ' A' ' 78' ' ' PHE . 54.8 mt -87.49 110.74 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -163.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.32 -35.93 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.958 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -80.01 -34.02 38.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.27 -38.21 73.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.09 -57.83 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.11 -27.62 15.38 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.745 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.434 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.79 -76.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.456 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.2 p -61.09 -25.8 37.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.524 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.85 -32.88 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.176 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -85.03 -26.81 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.699 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.416 ' HE1' ' HG ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -94.1 10.06 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD13 ' CG2' ' A' ' 45' ' ' VAL . 15.1 mt -120.47 -42.41 2.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.667 0.27 . . . . 0.0 111.178 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.49 -40.54 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.665 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.76 162.19 24.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -144.26 48.74 0.92 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.453 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 72.5 Cg_endo -75.86 107.79 2.54 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.236 1.958 . . . . 0.0 112.022 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -175.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.34 -34.06 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -78.34 -38.09 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.73 -49.42 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.4 mt -71.94 -24.08 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.853 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -29.17 68.15 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.741 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.54 -25.01 59.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.35 -56.21 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.575 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.409 ' HA ' ' HB ' ' A' ' 65' ' ' VAL . 31.0 mt -49.4 -41.62 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.951 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.45 -29.61 16.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -96.69 -33.48 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.185 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.543 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 60.4 t -65.26 -47.19 88.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.667 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' CG ' ' A' ' 67' ' ' GLU . 7.1 m-20 -49.44 -45.91 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.04 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 8.4 pt-20 46.27 28.9 0.75 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -165.64 -46.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.98 57.23 0.42 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.32 -23.52 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 111.397 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.68 -12.81 64.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.431 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.403 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 11.1 p -115.61 174.78 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.443 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 47.7 mt -118.59 116.38 51.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.528 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -60.14 -169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -68.77 -82.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.99 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.31 -24.04 10.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.042 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.6 mt-10 -54.37 -31.16 54.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 75' ' ' PHE . 16.4 m-85 -56.52 -18.67 12.37 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.094 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.2 mp -95.13 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.141 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 62.2 t -65.47 -35.03 74.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.543 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 1.8 ptm -47.75 -39.58 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.405 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 mmm -93.11 -24.36 18.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.613 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.423 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 68.0 t -68.86 -28.85 41.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 0.0 110.512 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -78.45 -16.84 57.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -107.19 -31.18 8.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.025 0.441 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' MET . . . . . . . . . . . . . 6.8 mtt -67.52 -62.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -27.93 58.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 60.24 163.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.61 -32.64 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.137 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 2.2 ttm -87.71 -66.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.02 59.19 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.67 -1.07 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -45.93 -28.69 1.19 Allowed 'General case' 0 N--CA 1.46 0.043 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.001 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.1 -58.65 5.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 4.1 ttp -60.79 -33.18 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 21' ' ' GLU . 8.5 mp -68.99 -36.45 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.38 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -90.56 12.57 18.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.996 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -83.42 -75.18 0.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.63 -179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 mt -72.46 -13.2 61.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.621 -179.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.4 ' N ' ' HB3' ' A' ' 24' ' ' ALA . 1.0 OUTLIER -53.92 -66.34 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 87.03 108.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 34.6 t 61.15 -177.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -106.06 -57.16 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -131.36 -51.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 6.9 tttt . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.832 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.805 0.336 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.86 -169.72 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.61 -62.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.687 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.2 t -143.93 122.05 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.775 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.7 0.03 32.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.637 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -52.14 -35.17 47.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.468 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -71.43 -13.24 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.36 -51.65 5.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.99 -43.98 82.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' HA ' HG23 ' A' ' 83' ' ' VAL . . . -42.68 -59.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.654 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -51.92 -26.81 11.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.767 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.96 -22.68 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -24.72 66.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.0 mt -112.63 173.39 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 111.004 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 163.28 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.646 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -50.02 -27.83 6.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.091 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.73 -56.99 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.4 ' CE ' ' HE2' ' A' ' 86' ' ' MET . 0.0 OUTLIER -59.58 -20.49 56.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.189 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -83.27 -64.46 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.898 0.38 . . . . 0.0 110.716 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.36 -25.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -89.8 -30.96 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.03 -33.17 72.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.89 179.14 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 15.7 tptm -77.54 -12.32 59.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.785 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.63 -78.74 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -70.31 -7.32 41.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.228 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.41 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 31.4 t80 -45.44 -28.9 0.97 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.704 0.287 . . . . 0.0 111.59 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.82 -60.0 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtt -59.0 -29.04 66.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.516 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 0.7 OUTLIER -55.78 -71.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.06 119.08 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.156 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -47.01 6.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.892 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -74.01 -19.43 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.3 -79.17 0.34 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.7 51.59 0.78 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.93 37.23 3.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 58.95 -177.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.953 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.472 HG23 ' HB2' ' A' ' 41' ' ' GLU . 82.1 mt -110.15 128.86 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.31 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 t -101.57 -163.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.1 p -73.37 -38.75 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.96 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -72.71 -30.74 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.085 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' HB2' HG23 ' A' ' 37' ' ' ILE . 1.8 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 46' ' ' MET . 1.0 OUTLIER -77.43 -48.05 18.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.964 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.409 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -56.73 -16.27 16.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.827 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.442 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -74.3 -77.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.047 0.451 . . . . 0.0 111.36 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.442 ' N ' ' CG2' ' A' ' 44' ' ' THR . 7.6 p -60.04 -44.03 93.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.452 -178.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.407 ' N ' HG12 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -61.14 -26.89 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.904 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 69.6 mtt180 -80.11 -42.84 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.504 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.83 5.66 20.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.04 -179.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 HD12 ' CG2' ' A' ' 45' ' ' VAL . 17.9 mt -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.666 0.27 . . . . 0.0 111.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.57 -38.24 1.31 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.753 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.94 158.34 32.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.807 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 m120 -144.32 52.94 2.0 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.42 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 58.6 Cg_endo -71.2 109.42 2.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.564 2.176 . . . . 0.0 112.123 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.3 p -54.78 179.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -57.12 13.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.3 m -60.33 -29.3 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.729 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.47 -61.18 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.4 mt -67.53 -30.16 69.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.59 -26.59 65.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.09 53.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.735 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -81.94 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.416 HG23 HD11 ' A' ' 62' ' ' ILE . 50.6 mt -44.28 -48.98 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -48.94 -29.25 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -92.31 -33.21 14.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.159 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.481 ' CG2' ' HB3' ' A' ' 81' ' ' MET . 17.4 t -64.34 -46.78 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.74 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.23 -50.41 73.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.244 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.97 27.78 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.6 -45.2 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.72 53.9 0.44 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 p -117.42 -26.45 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.38 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.25 1.57 75.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.216 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 p -115.95 139.05 50.63 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 50.7 mt -99.51 123.16 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -167.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -66.72 -68.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -71.67 -20.62 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -54.61 -23.81 18.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 t80 -71.4 -10.08 59.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.716 0.293 . . . . 0.0 110.963 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' O ' HG21 ' A' ' 83' ' ' VAL . 1.3 mp -95.71 -44.52 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 24.1 t -60.75 -32.77 52.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.911 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.481 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.4 ptm -52.63 -40.16 62.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.325 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.418 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 5.4 ttm -84.8 -31.02 24.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 10' ' ' ALA . 88.5 t -59.17 -32.59 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -80.07 -11.09 59.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.011 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -106.92 -28.25 10.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.198 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.418 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 10.4 mtt -75.0 -54.07 7.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.0 82.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.13 128.86 39.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -103.51 170.65 7.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.069 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.681 0.277 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 26.5 ttt -73.06 162.43 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.68 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 8.4 p 60.76 35.03 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.702 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -76.22 -1.07 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.261 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 28.0 t70 -49.33 -25.53 2.5 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.48 -62.38 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.0 109.793 178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.427 ' N ' HD12 ' B' ' 122' ' ' LEU . 9.0 mp -66.64 -42.4 86.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.169 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.41 16.14 9.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -82.07 -71.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 111.43 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.402 ' CD1' HG22 ' A' ' 45' ' ' VAL . 7.9 mt -78.26 -20.38 51.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.37 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 10.9 mt 59.6 160.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -92.84 114.89 4.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.556 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.92 173.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -116.97 -54.18 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.36 147.86 36.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 17.7 tttt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.882 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -127.3 173.24 9.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 ptp -161.97 -49.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.2 t -175.47 113.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -99.98 2.09 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.41 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -53.17 -26.37 16.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.533 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -70.29 -20.74 63.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.53 -49.53 6.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 27.6 mt-10 -54.0 -41.8 68.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -42.13 -59.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.49 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -53.39 -28.4 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.38 -18.87 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.341 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -72.1 -10.0 59.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.36 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD23 ' CE ' ' A' ' 86' ' ' MET . 2.2 mt -132.34 172.18 12.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.35 161.13 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.91 -26.6 10.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.37 -56.24 24.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.638 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -55.25 -25.8 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.9 mt -74.82 -61.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.008 0.432 . . . . 0.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.23 2.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 1.0 OUTLIER -88.83 -30.51 18.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.82 179.208 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.488 ' CD1' HD23 ' B' ' 122' ' ' LEU . 1.1 m-85 -59.51 -37.03 77.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.935 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 21.7 tptt -78.27 -9.06 59.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.203 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.06 -71.54 0.07 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -84.55 -0.75 54.29 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.442 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -40.9 -31.84 0.19 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -76.79 -65.49 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.265 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.17 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.399 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CZ ' HG12 ' A' ' 45' ' ' VAL . 0.6 OUTLIER -57.85 -60.2 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.224 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -60.79 -18.83 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.617 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.96 -68.5 0.09 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.275 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 p-10 -98.92 -26.13 14.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.3 33.69 52.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.56 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.5 -57.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.495 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.0 -112.35 3.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.408 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.424 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 58.3 m-20 -130.38 -174.98 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.508 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 54.6 mt -83.18 113.54 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.375 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -163.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.478 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.7 p -74.11 -24.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -35.68 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.354 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.64 -27.0 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.138 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.32 -60.69 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.152 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.42 -30.67 12.59 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.682 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -54.32 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.093 0.473 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 HG12 ' CZ ' ' A' ' 29' ' ' PHE . 6.1 p -59.93 -29.84 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.014 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 mmt -74.56 -36.17 63.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.545 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -24.8 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.602 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HE1' ' HG ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -93.61 10.07 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.604 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.432 ' HG ' ' HE1' ' A' ' 48' ' ' MET . 13.9 mt -121.5 -43.03 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.23 -36.66 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.96 158.4 32.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.358 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -144.09 55.46 3.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -67.91 107.95 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.578 2.186 . . . . 0.0 111.945 179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 p -57.56 -177.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -56.93 14.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.88 -31.24 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -59.37 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.852 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.41 -40.89 96.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.665 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.95 -24.16 66.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -30.74 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.81 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.0 mp -82.83 -58.52 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.433 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.6 mt -44.87 -42.45 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.385 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -33.22 26.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 62.7 t -67.77 -45.39 84.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.683 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.9 127.28 32.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.25 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -117.46 26.95 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -149.54 22.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.16 49.96 47.93 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.625 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.56 -27.44 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.226 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.54 9.34 68.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.501 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.424 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 9.0 p -122.01 165.28 16.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 110.72 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.508 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 45.1 mt -115.96 121.89 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.596 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.28 -167.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -62.6 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.87 -23.26 63.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.8 mt-10 -54.19 -25.65 23.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.505 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 52.5 t80 -64.19 -15.01 59.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 22' ' ' PHE . 3.5 mp -95.35 -38.67 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.533 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 21.5 t -65.48 -36.15 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.538 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.505 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.1 ptm -49.02 -40.18 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.152 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.493 ' HB3' ' HE3' ' A' ' 86' ' ' MET . 4.9 ttm -87.3 -34.15 18.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.565 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 66.9 t -59.47 -34.1 53.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.578 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -18.23 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.182 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -109.11 -13.56 14.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.021 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.493 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtm -86.92 -40.58 14.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 6.2 mtpt -69.41 67.87 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -136.72 96.81 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.59 167.45 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.089 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 26.2 ttm 63.78 -77.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 18.3 p -86.7 52.23 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 111.224 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.15 -1.29 43.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.692 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.486 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 26.6 t70 -43.96 -28.95 0.51 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.496 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.17 -70.35 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.422 ' HG3' HD11 ' A' ' 49' ' ' LEU . 3.0 ttp -54.57 -31.84 57.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.843 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.488 HD23 ' CD1' ' A' ' 22' ' ' PHE . 11.1 mp -64.66 -37.37 87.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.164 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -90.33 7.68 37.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.53 -76.5 0.18 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.56 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 7.7 mt -77.07 -6.56 53.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.706 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.2 tt -48.16 120.75 3.75 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 120.82 0.343 . . . . 0.0 111.189 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -151.26 95.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 16.0 t -154.3 -67.51 0.14 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.76 149.01 39.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -59.59 165.94 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.778 0.323 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 62.74 147.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -158.53 -45.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 t -168.18 120.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.21 2.05 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.48 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -24.72 17.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.7 0.286 . . . . 0.0 111.336 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.507 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -93.27 -15.24 26.04 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.143 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.48 -49.58 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 110.936 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.07 -41.51 92.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.201 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' CB ' HG23 ' A' ' 80' ' ' VAL . . . -46.01 -56.64 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -53.16 -26.74 18.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.3 -21.67 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' CD1' ' HD3' ' A' ' 87' ' ' LYS . 2.2 m-85 -71.82 -24.11 61.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -112.46 161.86 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.14 160.19 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -49.95 -27.55 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.66 -54.88 36.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.71 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -20.36 54.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.9 mt -84.74 -64.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.28 -26.35 2.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.24 -32.43 22.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -60.94 -34.23 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.416 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 4.4 tppt? -75.38 -14.79 60.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.807 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.81 -73.22 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.095 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.433 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -71.47 -4.11 24.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.279 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.416 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 4.8 t80 -47.73 -30.32 3.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -73.12 -66.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -59.09 -27.68 65.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.513 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 1.5 m-85 -56.15 -69.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.81 120.21 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.094 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.11 -47.97 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -98.2 -29.4 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.768 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.16 35.86 32.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.628 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.8 30.42 0.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.53 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.87 27.63 0.24 Allowed Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.555 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 49.3 m-20 55.31 -175.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.472 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 62.5 mt -86.63 124.98 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.255 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 p -95.43 -163.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.522 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -70.61 -55.54 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -34.2 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -57.76 -29.03 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.63 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.146 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.39 -28.32 4.6 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.82 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.423 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.3 m -56.69 -78.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.6 p -62.11 -27.47 42.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.811 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.5 mmt -74.33 -29.28 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.401 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -88.79 -26.71 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.561 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.401 ' HE1' ' HG ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -93.37 10.15 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.635 0.255 . . . . 0.0 111.476 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.429 HD11 ' CG2' ' A' ' 45' ' ' VAL . 17.0 mt -119.88 -41.28 2.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.678 0.275 . . . . 0.0 111.062 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.88 -35.4 0.3 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.7 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 161.19 26.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -144.22 51.21 1.44 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 68.8 Cg_endo -73.72 107.88 2.51 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.562 2.175 . . . . 0.0 112.167 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.1 p -56.45 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.015 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -57.17 -54.79 42.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.45 -30.35 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -54.84 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -74.18 -34.94 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.63 -24.97 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.8 -31.55 45.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.439 ' O ' HG12 ' A' ' 65' ' ' VAL . 1.7 mp -82.04 -56.64 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.529 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.5 mt -46.23 -45.87 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.958 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -54.69 -24.23 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -95.71 -34.59 11.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.522 HG11 ' CB ' ' A' ' 81' ' ' MET . 1.2 m -69.17 -31.79 51.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.644 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.29 110.75 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -26.74 38.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.52 15.94 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.25 58.07 8.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.657 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.81 -22.43 11.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.662 0.268 . . . . 0.0 111.302 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.05 -1.13 87.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.44 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 3.5 p -109.83 157.76 18.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.327 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 76.3 mt -112.6 120.84 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.499 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -169.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -62.14 -70.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -67.37 -28.59 68.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.082 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.6 mt-10 -53.99 -33.57 57.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.267 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.6 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 12.3 t80 -62.34 -15.41 48.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.926 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.42 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 1.5 mp -92.98 -42.69 9.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.507 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 15.6 t -62.53 -39.9 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.735 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.6 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -46.9 -41.14 15.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.378 179.806 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.47 ' HB3' ' HE1' ' A' ' 86' ' ' MET . 4.1 ttm -87.58 -32.24 19.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.613 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 65.7 t -61.31 -34.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.8 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -17.05 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.311 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -108.54 -21.84 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.47 ' HE1' ' HB3' ' A' ' 82' ' ' MET . 7.3 mtm -78.27 -55.12 5.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -70.38 -34.47 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.59 169.23 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -135.89 148.3 48.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.116 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . 0.4 ' NH1' ' CE ' ' A' ' 81' ' ' MET . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.842 0.353 . . . . 0.0 111.269 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -59.1 154.98 14.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 p 56.81 27.49 12.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.614 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.48 -1.05 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.335 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.429 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 7.9 t0 -46.24 -28.33 1.24 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.696 0.284 . . . . 0.0 111.275 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.2 0.61 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' MET . . . . . . . . . . . . . 1.7 ttp -56.65 -34.18 67.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 109.762 179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 24' ' ' ALA . 8.6 mp -64.16 -38.84 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.1 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -90.22 -6.34 55.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.406 ' HB1' ' CD1' ' A' ' 49' ' ' LEU . . . -57.49 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.988 0.423 . . . . 0.0 111.725 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 45' ' ' VAL . 5.5 mt -70.7 -26.02 63.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.323 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 mt 54.62 175.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.11 -178.75 18.13 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.549 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -174.93 -175.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -128.6 163.37 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -121.72 104.0 9.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -63.43 168.52 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 mtm -174.12 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -166.02 123.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.793 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.87 2.3 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -50.35 -27.36 6.13 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.495 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -72.56 -14.58 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.089 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.14 -48.97 6.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 4.3 mt-10 -57.12 -40.65 77.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.186 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -44.44 -54.13 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.298 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -54.6 -27.1 36.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.754 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.87 -19.91 19.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.239 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m-85 -70.35 -12.07 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.29 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 7.3 mt -126.55 162.9 24.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.82 153.83 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.663 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.77 -28.09 5.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.189 0.518 . . . . 0.0 110.027 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.35 -48.73 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.479 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -16.16 63.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.7 mt -84.54 -63.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -24.62 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.35 -33.19 19.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.248 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.43 ' CG ' ' CD2' ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.02 -33.3 74.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.47 -12.66 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.617 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.83 -78.28 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -73.09 -5.88 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 14.1 t80 -46.57 -28.96 1.59 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.695 0.284 . . . . 0.0 111.521 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -61.07 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mtt -59.11 -26.69 64.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.477 ' CE1' ' CG2' ' A' ' 37' ' ' ILE . 0.5 OUTLIER -56.84 -73.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.26 119.53 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 -51.83 5.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -80.24 -25.97 39.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.59 32.51 50.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.27 30.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.548 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.42 -112.12 0.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -161.04 -175.16 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.477 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 80.4 mt -98.13 127.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -119.18 -164.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.586 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -24.93 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -84.76 -39.21 18.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.319 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' HB2' HG22 ' A' ' 37' ' ' ILE . 8.5 mt-10 -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.459 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -82.9 -61.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 111.086 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.99 5.52 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.451 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.04 -76.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.98 0.419 . . . . 0.0 111.063 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' N ' ' CG2' ' A' ' 44' ' ' THR . 8.2 p -64.35 -24.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.771 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 mmt -76.7 -32.43 57.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.4 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -85.43 -28.12 25.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -92.48 10.17 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.593 -179.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.423 HD11 ' HG3' ' B' ' 121' ' ' MET . 17.8 mt -119.72 -41.08 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -33.7 0.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.375 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.41 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.02 159.76 30.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 55.0 t-20 -144.14 51.74 1.63 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.505 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.425 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 71.6 Cg_endo -74.15 107.9 2.54 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.54 2.16 . . . . 0.0 112.077 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.01 -177.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.06 -53.29 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.786 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.17 -32.07 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -60.49 3.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.842 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.52 -31.08 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.73 -27.09 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.89 59.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.6 mp -80.07 -59.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.38 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 20.2 mt -45.2 -47.51 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.366 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -34.87 24.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.028 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.516 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 88.4 t -65.82 -47.09 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.06 97.89 7.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.228 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -76.11 -25.48 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.749 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -85.11 -29.81 24.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.79 49.78 1.74 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.287 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.41 -21.68 12.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.36 5.4 72.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.435 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 78.8 p -119.2 141.8 48.56 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.896 0.379 . . . . 0.0 110.807 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 36.0 mt -98.65 119.02 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.393 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.38 -168.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.34 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 7' ' ' GLN . 3.8 mp0 -62.93 -29.23 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.036 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.456 ' O ' ' HG2' ' A' ' 81' ' ' MET . 9.4 mt-10 -50.87 -26.07 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.306 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.484 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 4.6 t80 -64.32 -13.6 51.16 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.938 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.404 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 3.0 mp -95.38 -44.97 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 24.6 t -61.26 -35.9 69.2 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.74 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.516 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 1.4 ptm -47.54 -40.32 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.339 0.59 . . . . 0.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 22' ' ' PHE . 0.9 OUTLIER -93.31 -32.52 14.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.326 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.44 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 61.7 t -57.13 -31.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.861 0.362 . . . . 0.0 110.539 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.9 mtt-85 -77.85 -26.48 49.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -103.08 13.04 35.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 4.2 mtm -116.1 -45.32 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.424 ' HD2' ' N ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -137.08 61.81 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.833 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 166.16 24.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.22 159.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.098 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.788 0.328 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -64.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.562 ' C ' ' H ' ' B' ' 119' ' ' ASP . 77.7 p -57.32 -100.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.736 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 68.44 -26.0 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.562 ' H ' ' C ' ' B' ' 117' ' ' SER . 34.2 t0 -47.45 -30.01 3.09 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 121.043 0.449 . . . . 0.0 110.394 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.34 55.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.423 ' HG3' HD11 ' A' ' 49' ' ' LEU . 3.1 ttp -64.51 -34.27 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.43 ' CD2' ' CG ' ' A' ' 22' ' ' PHE . 8.8 mp -65.28 -39.91 93.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.027 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -90.39 11.72 20.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.178 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.77 -74.44 0.24 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 111.334 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 6.8 mt -75.55 -24.16 56.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 14.2 mt 58.22 178.21 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.71 162.8 29.36 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 47.6 t -149.7 88.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -168.59 119.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -125.13 103.24 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.928 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.773 0.32 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m 60.54 104.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -164.97 -43.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 t -165.15 122.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -108.46 0.33 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.551 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -54.96 -25.1 27.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.739 0.304 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.503 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 15.7 mp0 -78.78 -20.31 50.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.066 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.14 -50.06 8.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' PHE . 5.2 mm-40 -56.21 -39.02 71.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 109.995 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.64 -58.33 2.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.468 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.6 mtp85 -53.04 -25.43 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.922 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.23 -19.34 18.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -78.14 -24.79 47.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 17.7 mt -106.65 162.18 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.58 161.94 25.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.599 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -50.15 -27.65 6.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.064 0.459 . . . . 0.0 110.113 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.23 -55.47 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.422 ' CE ' ' HE3' ' A' ' 86' ' ' MET . 0.0 OUTLIER -60.3 -20.07 57.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.078 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.7 mt -86.24 -64.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.817 0.341 . . . . 0.0 110.755 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.69 -26.22 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 0.0 110.978 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.051 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' HA ' ' HG ' ' B' ' 122' ' ' LEU . 0.0 OUTLIER -60.02 -34.82 73.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.825 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -73.27 -17.19 61.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.774 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.13 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -74.05 -2.63 25.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 16.9 t80 -51.28 -26.56 7.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 111.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -84.69 -61.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -26.4 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.501 ' CE2' ' CE2' ' A' ' 78' ' ' PHE . 2.3 m-85 -55.85 -67.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.09 120.05 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.05 -47.54 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -93.19 -24.78 18.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.911 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.56 63.17 4.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.581 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.12 -42.55 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.86 -104.45 2.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.447 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 36.5 m-20 -158.81 -174.7 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.481 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 55.8 mt -83.16 116.26 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.0 p -98.03 -164.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.2 p -67.66 -29.15 68.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -81.98 -43.71 17.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.057 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.76 -22.72 37.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.22 -58.71 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.196 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.28 -26.31 9.3 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.656 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.437 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.66 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.491 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.2 p -62.23 -28.28 44.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.749 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mmt -72.87 -30.71 64.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.3 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -86.2 -30.1 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -90.26 10.1 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.439 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.449 HD11 ' HG3' ' B' ' 121' ' ' MET . 16.8 mt -119.32 -38.97 2.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.747 0.308 . . . . 0.0 110.997 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.11 -35.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.647 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.98 160.28 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 10.2 t30 -144.12 51.6 1.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 52' ' ' ASN . 58.9 Cg_endo -71.37 112.66 3.39 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.524 2.149 . . . . 0.0 112.104 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 p -56.12 174.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -48.91 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.28 -36.56 80.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -58.08 -60.15 4.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.4 mt -65.32 -31.79 73.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.81 -25.12 61.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.03 54.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.712 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' ' 65' ' ' VAL . 2.0 mp -79.73 -60.34 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.308 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 62' ' ' ILE . 43.0 mt -45.53 -43.49 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.125 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.014 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.5 t -57.41 -33.71 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.393 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -85.8 -35.9 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.506 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 59.5 t -65.49 -50.04 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.529 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.14 110.68 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -100.97 30.62 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.23 -45.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.95 42.75 0.51 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.236 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -24.72 10.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.719 0.295 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.34 9.88 73.66 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.201 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.447 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 10.1 p -120.06 168.44 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 41.7 mt -119.65 120.44 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.916 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -165.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -62.67 -73.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -71.09 -22.4 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.024 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.8 mt-10 -52.52 -27.03 14.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.525 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 30.8 t80 -70.57 -11.09 60.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.139 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 22' ' ' PHE . 1.2 mp -94.85 -44.01 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.145 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.503 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 5.5 p -64.67 -32.56 58.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.056 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.1 ptm -50.87 -41.82 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.284 0.564 . . . . 0.0 110.504 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.461 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 3.4 ttm -76.85 -37.47 55.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.65 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 79' ' ' LEU . 56.7 t -56.97 -34.36 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -15.57 61.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.191 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -109.4 -27.02 9.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.461 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 8.6 mtm -72.73 -54.56 8.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -29.42 68.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -153.84 114.29 3.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.95 -179.03 3.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.094 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.733 0.301 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 53.5 ttp 63.21 -78.4 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.491 ' C ' ' H ' ' B' ' 119' ' ' ASP . 63.0 m -49.3 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.724 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . 69.09 -40.27 0.45 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 111.449 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.566 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 9.0 t70 -40.74 -30.0 0.11 Allowed 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.747 0.308 . . . . 0.0 111.561 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.96 1.96 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.37 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.449 ' HG3' HD11 ' A' ' 49' ' ' LEU . 8.9 ttp -60.45 -30.54 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' B' ' 119' ' ' ASP . 5.4 mp -64.09 -42.31 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.757 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.23 12.89 16.69 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.411 ' HB3' ' CD1' ' A' ' 49' ' ' LEU . . . -77.21 -71.87 0.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.542 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.406 ' CD1' HG23 ' A' ' 45' ' ' VAL . 8.4 mt -74.53 -27.65 60.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.69 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' B' ' 122' ' ' LEU . 0.5 OUTLIER -159.56 152.6 21.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 167.26 -169.73 41.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -99.31 125.25 44.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -59.68 135.03 57.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -130.85 -46.42 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.852 0.358 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.08 174.76 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -153.17 -48.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 t -177.07 119.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -110.87 1.48 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.393 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.1 -30.47 36.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.456 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.34 -23.68 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.58 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.678 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' PHE . 10.3 mt-10 -57.08 -42.46 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.932 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.3 -59.73 1.98 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -26.53 22.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.758 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.7 -19.18 20.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.231 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -79.85 -38.79 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.006 -179.62 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.23 156.74 18.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.47 154.83 36.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -28.38 5.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 0.0 110.284 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -47.14 86.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.553 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.1 OUTLIER -66.46 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.456 HD11 HG21 ' A' ' 19' ' ' ILE . 23.7 mt -71.24 -60.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.28 -28.01 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.018 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.96 -31.91 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.918 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.466 ' CZ ' ' HE2' ' A' ' 82' ' ' MET . 1.4 m-85 -58.42 -34.93 71.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.144 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.417 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tmtt? -79.45 -12.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.302 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.05 -72.2 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -77.26 -1.81 31.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.16 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.417 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 17.0 t80 -51.03 -26.58 6.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.743 0.306 . . . . 0.0 111.33 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -85.08 -44.8 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.012 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -68.8 -30.22 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.982 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.53 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 25.3 m-85 -59.08 -75.63 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -55.27 119.41 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.336 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.54 -46.83 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.735 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -98.91 -29.19 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.41 44.01 14.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.533 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.12 28.11 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.627 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.23 28.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.671 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.492 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 12.8 m-20 52.75 -163.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 19.3 mt -91.78 130.14 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.414 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -105.78 -164.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.63 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.5 p -71.16 -40.29 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.091 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -72.59 -38.57 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.36 -24.98 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.307 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' CD2' HG22 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -80.28 -59.69 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.297 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.01 14.66 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.649 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.21 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.452 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.5 p -62.07 -27.29 42.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.786 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -31.67 57.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.44 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -87.08 -27.53 23.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.257 . . . . 0.0 111.325 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -92.47 10.1 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.472 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.8 mt -119.49 -40.92 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.92 -36.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.596 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -67.99 160.8 27.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -144.22 58.65 6.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.29 107.99 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.587 2.192 . . . . 0.0 112.168 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -56.15 179.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -43.28 82.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.6 m -72.63 -30.4 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -59.23 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.5 mt -69.23 -31.98 70.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.77 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -21.84 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -31.81 26.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 2.8 mp -82.35 -58.16 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.488 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.427 HG21 HD11 ' A' ' 62' ' ' ILE . 46.5 mt -45.3 -44.47 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.182 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -39.85 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.314 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -33.29 57.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.259 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.449 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.4 t -67.02 -55.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.37 119.32 12.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.942 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.15 28.76 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -155.92 26.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.64 54.92 10.12 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.696 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 p -116.72 -25.42 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 111.473 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.51 11.12 61.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.122 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.492 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 25.2 p -111.86 140.23 46.68 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 28.6 mt -105.84 96.58 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.428 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -52.59 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -51.71 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 7' ' ' GLN . 33.2 mp0 -61.21 -27.95 68.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.4 mt-10 -52.87 -23.81 7.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.637 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 55.3 t80 -72.61 -14.79 61.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.257 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' CD2' ' CD2' ' A' ' 22' ' ' PHE . 3.1 mp -95.46 -48.32 5.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.456 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.8 p -58.67 -35.12 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.876 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.555 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.8 ptm -48.13 -41.49 26.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.466 ' HE2' ' CZ ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -85.21 -32.96 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.89 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.636 HG11 ' HD3' ' A' ' 87' ' ' LYS . 65.4 t -57.21 -30.65 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.9 mtt85 -83.05 -20.79 34.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.061 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 81' ' ' MET . 7.3 mm-40 -112.96 1.41 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.473 ' HG2' ' HA ' ' A' ' 83' ' ' VAL . 1.6 ptp -116.56 -26.43 7.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.034 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.636 ' HD3' HG11 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -114.76 98.15 6.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.785 179.337 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.14 -170.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.55 159.35 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.807 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.27 -0.871 . . . . 0.0 111.122 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.761 0.315 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.06 -72.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.826 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p -78.81 59.71 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.77 0.57 43.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.434 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 30.0 t70 -46.38 -28.6 1.39 Allowed 'General case' 0 C--O 1.23 0.067 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.79 -70.16 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.405 ' CE ' ' CD1' ' B' ' 122' ' ' LEU . 0.6 OUTLIER -54.71 -33.1 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.067 0.46 . . . . 0.0 109.897 179.333 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 22' ' ' PHE . 8.6 mp -65.59 -35.49 80.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.177 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -6.6 54.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.29 -71.54 0.11 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 111.67 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' B' ' 127' ' ' GLY . 9.0 mt -78.84 -19.03 53.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.444 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 32.2 mt 65.11 -71.76 0.08 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.275 179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' B' ' 125' ' ' LEU . . . 131.47 -112.36 1.19 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 65.1 m -144.55 100.75 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.963 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.22 30.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -87.76 103.0 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.807 0.337 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -109.24 133.93 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.014 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.424 ' CE ' ' HA ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -144.04 -62.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.747 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.6 p -109.77 107.05 16.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -75.39 -5.27 44.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.473 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -47.81 -30.05 3.68 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.838 0.351 . . . . 0.0 110.963 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.401 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -64.01 -33.42 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.72 -53.14 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.916 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.9 mm-40 -53.6 -39.86 65.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.413 ' HB2' ' HA ' ' A' ' 80' ' ' VAL . . . -42.76 -61.35 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.8 mtp180 -52.27 -26.2 11.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.989 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.55 -19.37 20.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.275 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -76.17 -13.4 60.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.241 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -129.19 172.07 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.12 162.3 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.672 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -27.38 5.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.058 0.456 . . . . 0.0 110.123 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.72 -60.63 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.71 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.426 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -55.18 -23.29 21.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.416 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 50.1 mt -73.87 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.09 -27.35 3.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 1.1 mm-40 -78.38 -33.36 48.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 18' ' ' MET . 19.4 m-85 -62.91 -47.35 83.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.48 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.56 -15.56 63.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.976 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -47.95 -71.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.087 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 29' ' ' PHE . . . -80.93 -0.81 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -55.6 -30.47 60.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.756 0.312 . . . . 0.0 111.208 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.73 -49.95 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 tpp -68.06 -27.61 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.468 ' CE1' ' CG1' ' A' ' 45' ' ' VAL . 2.9 m-85 -57.11 -67.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -57.89 118.3 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.55 6.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -62.29 -20.13 63.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.985 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.29 -80.68 0.25 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.7 48.69 0.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.23 -110.38 2.01 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.41 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -140.71 -176.09 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.415 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 57.9 mt -112.95 115.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -104.18 -164.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.2 p -67.11 -20.18 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.258 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -28.87 17.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.311 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.47 -25.16 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.368 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.18 -50.57 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.181 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.71 -21.24 35.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.705 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.8 m -62.47 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.468 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 2.7 p -54.94 -37.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.91 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -65.43 -23.76 67.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.513 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.12 -36.17 18.25 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -80.59 -20.38 43.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 111.336 -179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.42 ' CD1' ' HG3' ' B' ' 121' ' ' MET . 77.6 mt -82.86 -47.49 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.8 -23.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.509 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.81 160.85 27.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.701 0.286 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -144.17 54.34 2.76 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.51 107.68 1.67 Allowed 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.513 2.142 . . . . 0.0 111.866 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.25 173.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -55.54 -45.39 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -32.04 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.652 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -62.29 -66.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.1 mt -61.44 -33.8 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.06 -24.36 62.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.05 -32.68 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.792 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.35 -61.56 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.3 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.403 HD11 HG21 ' A' ' 62' ' ' ILE . 51.8 mt -43.84 -35.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.388 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.4 -45.05 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.422 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.39 -37.66 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.397 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 78.6 t -66.36 -63.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.717 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.89 118.02 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.13 26.69 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -148.6 21.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.2 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.84 37.66 15.36 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.801 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.5 p -92.22 -29.27 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.099 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.81 8.66 73.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.535 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.0 p -118.22 132.89 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 59.1 mt -93.8 116.92 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.57 -165.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -78.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.427 ' HA ' ' CD1' ' A' ' 79' ' ' LEU . 28.4 mm-40 -62.86 -23.67 67.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.042 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.449 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.0 mt-10 -51.43 -28.82 13.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.599 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 32.7 t80 -66.29 -18.92 65.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 76' ' ' GLU . 3.4 mp -90.68 -35.65 14.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 5.1 p -76.63 -34.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.207 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.599 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.3 ptm -50.3 -39.21 44.9 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.777 0.799 . . . . 0.0 110.12 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.521 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 4.3 mmm -76.16 -41.6 49.32 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.7 t -58.29 -31.15 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.03 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -6.95 53.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.344 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 81' ' ' MET . 2.1 mt-30 -116.12 -22.67 8.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.703 0.287 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.521 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 11.8 mtt -79.62 -40.91 28.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.007 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.417 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -71.52 -46.92 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 75.26 -58.59 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.108 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 74.29 146.64 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.117 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 17.6 ttt -97.96 161.52 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.605 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 p 52.07 33.83 12.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.452 . . . . 0.0 110.579 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.419 ' CB ' ' CE ' ' A' ' 82' ' ' MET . . . -76.44 0.6 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.337 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.406 ' O ' ' N ' ' B' ' 123' ' ' ARG . 25.7 t70 -46.29 -26.21 0.77 Allowed 'General case' 0 CA--C 1.527 0.068 0 CA-C-O 120.693 0.282 . . . . 0.0 111.415 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.42 -72.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.42 ' HG3' ' CD1' ' A' ' 49' ' ' LEU . 11.9 ttp -50.78 -41.34 56.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.204 0.526 . . . . 0.0 109.842 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.449 ' N ' ' CD1' ' B' ' 122' ' ' LEU . 1.4 mp -59.88 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.085 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' B' ' 119' ' ' ASP . 8.3 ttt180 -90.55 -21.74 21.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . . . . . . . . . . . -52.4 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.999 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.434 ' CD1' HG21 ' A' ' 45' ' ' VAL . 9.3 mt -75.77 -5.95 48.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.886 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . 0.404 ' N ' ' HB2' ' A' ' 24' ' ' ALA . 1.3 tt -57.81 -65.88 0.56 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -137.61 114.57 1.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 80.1 p -84.51 58.07 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.45 -45.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.67 -65.32 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.3 175.32 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.57 -43.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.5 p -131.81 112.67 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.03 2.08 54.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.452 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -48.87 -42.53 36.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.815 0.341 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -58.61 -28.85 66.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.467 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.11 -53.89 6.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.176 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.6 mt-10 -58.86 -42.96 90.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.29 -56.45 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.169 179.39 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -24.44 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.845 179.566 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.26 -16.24 20.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.465 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.438 ' CE1' ' HG3' ' A' ' 87' ' ' LYS . 82.7 t80 -69.24 -27.29 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 0.0 111.232 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 0.3 OUTLIER -113.37 174.08 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 111.028 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.65 161.51 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.71 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.03 -28.1 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.122 0.487 . . . . 0.0 110.164 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.16 -46.9 88.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.583 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -74.39 -18.28 60.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.122 179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.3 mt -81.98 -65.01 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.329 . . . . 0.0 110.776 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.98 -27.21 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.073 0.463 . . . . 0.0 110.816 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -86.51 -31.15 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.952 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.438 ' CE1' HD23 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.72 -36.12 78.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.29 179.246 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.406 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -80.52 -8.44 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.119 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.17 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.441 ' HB2' ' CE2' ' A' ' 29' ' ' PHE . . . -74.63 -0.93 19.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.12 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 75' ' ' PHE . 3.8 t80 -47.73 -27.99 2.25 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.741 0.305 . . . . 0.0 111.609 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.57 -49.87 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.302 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.247 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.536 ' CE2' ' CZ ' ' A' ' 78' ' ' PHE . 14.8 m-85 -57.3 -74.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.139 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -50.45 119.58 3.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.5 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -48.94 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.794 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -88.58 -26.13 22.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.14 68.03 1.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.61 37.57 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.567 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.72 -103.69 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.408 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.431 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 39.4 m-20 -155.89 -176.26 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 36.6 mt -87.67 131.26 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.173 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -110.06 -164.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.731 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.7 p -68.96 -48.77 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -63.51 -30.67 71.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.92 -25.12 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.193 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.75 -56.13 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.288 -179.585 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.82 -30.77 22.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.61 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.464 ' CG1' ' CE1' ' A' ' 29' ' ' PHE . 7.6 p -60.24 -30.57 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.027 -179.144 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.435 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.1 mtp -73.54 -34.52 65.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.6 -179.098 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mtp-105 -82.97 -26.7 31.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.593 0.235 . . . . 0.0 111.58 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.431 ' HE2' ' HG ' ' A' ' 49' ' ' LEU . 0.3 OUTLIER -94.05 10.15 34.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.688 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.431 ' HG ' ' HE2' ' A' ' 48' ' ' MET . 15.0 mt -121.11 -42.6 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.678 0.275 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.47 -42.54 0.2 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.918 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.439 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 25.3 mp0 -67.83 162.2 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.746 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 3.9 m120 -144.33 52.54 1.86 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 51' ' ' GLN . 80.1 Cg_endo -76.72 107.91 2.55 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.503 2.136 . . . . 0.0 112.153 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -176.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -53.15 60.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 23.0 t -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -60.75 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.27 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 -179.957 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.02 -25.97 68.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.44 -30.36 53.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.688 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.409 ' O ' HG22 ' A' ' 65' ' ' VAL . 1.7 mp -82.98 -59.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.344 179.368 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.464 HD12 HG23 ' A' ' 62' ' ' ILE . 30.1 mt -43.9 -42.87 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.112 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.2 t -57.57 -47.98 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -32.81 65.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.953 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 53.1 t -63.32 -51.8 66.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.344 179.312 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.75 118.34 17.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -90.05 -24.14 21.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -100.18 19.89 15.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.9 58.84 7.29 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.688 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 p -113.95 -23.9 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.666 0.269 . . . . 0.0 111.358 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.21 1.82 76.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.385 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.431 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 7.7 p -113.23 150.56 32.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 51.1 mt -107.38 120.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.504 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -170.82 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -62.1 -74.79 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -66.76 -25.42 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.468 ' O ' ' HG2' ' A' ' 81' ' ' MET . 2.8 mt-10 -52.5 -26.14 12.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 18.6 t80 -63.71 -15.13 57.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.113 179.714 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 22' ' ' PHE . 2.5 mp -95.32 -43.75 7.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.964 0.411 . . . . 0.0 109.942 178.919 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.446 ' CG2' ' HA ' ' A' ' 7' ' ' GLN . 54.8 t -62.93 -34.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.648 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.51 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 1.7 ptm -49.89 -41.37 45.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.572 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.405 ' HB3' ' CE ' ' A' ' 86' ' ' MET . 0.0 OUTLIER -91.55 -28.33 17.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.158 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.435 ' HB ' ' HA ' ' A' ' 80' ' ' VAL . 90.4 t -59.65 -42.6 88.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.954 0.407 . . . . 0.0 110.279 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -65.04 -26.13 68.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.723 179.577 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -102.97 13.01 35.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' MET . . . . . 0.413 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 4.4 mtm -116.17 -37.88 3.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.438 ' HG3' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -57.3 -67.65 0.3 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.869 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.33 140.01 42.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -158.13 29.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.064 -179.988 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.699 0.285 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.687 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 117' ' ' SER . . . . . 0.523 ' C ' ' H ' ' B' ' 119' ' ' ASP . 71.1 m 52.86 -109.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.521 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 118' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' B' ' 122' ' ' LEU . . . 70.75 -23.48 0.17 Allowed 'General case' 0 C--N 1.333 -0.148 0 O-C-N 122.405 -0.185 . . . . 0.0 111.258 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 119' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' B' ' 117' ' ' SER . 11.0 t70 -46.19 -31.04 2.21 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.051 0.453 . . . . 0.0 110.101 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.3 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.109 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 121' ' ' MET . . . . . 0.429 ' CE ' HD12 ' B' ' 122' ' ' LEU . 5.9 ttp -60.08 -39.38 85.87 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . 0.438 HD23 ' CE1' ' A' ' 22' ' ' PHE . 9.4 mp -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.835 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -90.66 11.47 22.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.426 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 124' ' ' ALA . . . . . 0.409 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . . . -76.85 -79.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.92 0.39 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.4 HD12 ' CE ' ' A' ' 48' ' ' MET . 6.7 mt -71.66 -21.24 61.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.39 -179.5 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 72.2 mt 53.08 179.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.114 179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -106.41 -107.75 3.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.81 118.87 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.737 0.303 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -134.25 100.31 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -150.82 88.43 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 37.0 mttp . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.926 179.963 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.787 0.327 . . . . 1.62 110.786 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -68.27 -29.04 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 2.07 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.7 -51.02 15.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.8 111.058 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.37 -28.92 67.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 1.72 110.831 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.94 69.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.61 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG3' HD13 ' A' ' 79' ' ' LEU . 4.7 mtp180 -59.09 -30.28 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 2.07 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.85 23.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.86 111.163 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.18 -30.87 69.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 2.18 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.55 151.14 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.85 110.841 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 164.44 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.6 110.85 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.15 -30.1 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 2.67 110.802 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -38.47 83.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 2.48 110.848 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -45.07 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.86 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 22' ' ' PHE . 38.2 mt -56.44 -46.79 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.86 111.156 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.71 -60.28 3.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.83 -26.22 68.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 2.01 110.501 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -55.8 -35.01 65.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.996 -0.547 . . . . 3.68 110.895 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -82.28 2.43 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.986 -0.552 . . . . 2.98 111.418 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.831 0.348 . . . . 0.93 111.528 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.717 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -78.6 -1.72 35.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.8 111.95 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 20.3 t80 -52.03 -27.53 14.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.308 . . . . 1.75 111.14 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.98 -54.7 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 2.19 110.842 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 1.31 110.975 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.744 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -55.45 -70.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 1.48 111.069 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -58.03 118.02 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 1.08 110.947 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.38 -53.34 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.1 111.11 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.21 110.908 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.837 0.351 . . . . 1.32 110.761 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.744 HD13 ' CD1' ' A' ' 29' ' ' PHE . 42.2 mt -95.88 130.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.078 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -115.01 -166.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.49 110.712 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.582 ' CG2' HD12 ' A' ' 62' ' ' ILE . 3.6 p -68.3 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.65 110.959 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -47.42 23.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 3.35 110.988 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.28 -29.47 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.53 111.064 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.735 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -70.07 -60.74 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.42 111.093 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.7 -23.84 23.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.811 -0.709 . . . . 0.52 112.779 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.2 m -59.57 -76.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.334 . . . . 0.61 111.001 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.717 HG21 ' CB ' ' A' ' 25' ' ' ALA . 9.5 p -61.21 -24.28 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.62 111.486 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mmt -76.99 -29.44 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 1.15 111.153 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -88.72 -27.47 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.34 . . . . 2.38 111.156 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.526 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -97.79 35.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.85 111.05 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.837 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.8 mt -146.39 -47.98 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.94 110.908 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.62 -42.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.88 112.506 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.17 166.08 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 1.94 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 7.8 t30 -149.7 53.15 1.23 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 2.19 111.007 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.473 ' CG ' HD21 ' A' ' 58' ' ' LEU . 63.9 Cg_endo -73.6 107.8 2.48 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.508 2.139 . . . . 0.51 112.2 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -178.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 1.44 111.058 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 2.21 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.48 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 1.6 110.909 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.651 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -60.09 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 2.15 110.921 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 42' ' ' LEU . 13.1 mt -59.19 -38.0 78.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.4 110.935 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.57 -30.87 68.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 1.78 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.3 78.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.59 111.059 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 57' ' ' GLU . 5.3 mp -70.25 -60.48 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.55 110.975 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.582 HD12 ' CG2' ' A' ' 39' ' ' THR . 42.9 mt -47.0 -37.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.318 -0.401 . . . . 0.44 111.362 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.4 t -59.16 -31.28 68.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.81 110.841 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -87.81 -32.41 19.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 1.99 110.728 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 81' ' ' MET . 27.7 t -63.4 -60.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.77 111.039 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.28 102.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 1.16 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.89 -30.08 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 3.3 111.049 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -82.46 -30.99 29.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 1.33 110.993 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.8 53.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.82 112.388 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 -23.09 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.65 111.208 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.75 15.15 81.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.671 -0.776 . . . . 0.56 112.567 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.2 p -125.5 140.79 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.816 0.341 . . . . 0.72 110.776 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.6 mt -99.33 121.43 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.52 111.297 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.93 -169.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.74 110.875 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.23 -75.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 2.31 110.889 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 79' ' ' LEU . 4.7 mt-10 -66.55 -25.27 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.408 . . . . 2.25 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.02 -23.59 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 1.23 111.144 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 37' ' ' ILE . 34.1 t80 -70.67 -15.72 62.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 2.4 111.209 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.2 mt -91.81 -37.48 12.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.65 111.203 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.96 -26.53 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.14 111.599 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.417 ' CB ' HG22 ' A' ' 65' ' ' VAL . 4.3 ptm -58.01 -35.71 71.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.49 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.671 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.1 OUTLIER -84.73 -30.94 24.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 1.19 110.62 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 79' ' ' LEU . 30.2 t -66.51 -31.29 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.59 110.921 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -73.68 -8.71 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 2.15 111.254 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -115.73 -30.49 6.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.796 0.331 . . . . 2.19 111.111 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.554 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 10.9 mtt -63.06 -75.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.86 111.2 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD2' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 3.37 111.128 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.877 0.37 . . . . 1.4 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.671 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -90.16 12.53 17.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.78 111.433 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.79 -26.54 62.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 1.46 110.909 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.93 -65.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 0.88 110.953 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.631 ' HG3' HD12 ' A' ' 49' ' ' LEU . 10.8 ttp -61.54 -36.19 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.87 110.657 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.617 HD13 ' O ' ' B' ' 118' ' ' ALA . 10.3 mp -65.55 -36.57 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.87 110.65 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -87.93 -17.07 32.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 3.33 111.321 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.837 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -50.85 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 1.09 111.338 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 25' ' ' ALA . 15.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.19 110.945 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.673 ' CG ' HG21 ' A' ' 80' ' ' VAL . 12.3 pt20 . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.735 0.302 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 9.5 mt-30 -75.25 -23.73 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -51.63 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -58.56 -38.47 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 109.971 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -44.72 -55.69 5.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.239 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.617 ' HA ' HD22 ' A' ' 79' ' ' LEU . 5.5 ttp85 -53.89 -26.0 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.947 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.01 -16.61 19.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.542 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 82.0 t80 -69.53 -29.64 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.726 0.298 . . . . 0.0 111.187 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.2 OUTLIER -109.77 178.91 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.39 161.71 14.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.726 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.0 -28.03 6.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.077 0.465 . . . . 0.0 110.13 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.4 -51.47 69.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.561 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.81 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.69 -20.8 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.066 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.499 HD13 ' NH1' ' A' ' 11' ' ' ARG . 54.3 mt -80.36 -63.95 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.872 0.368 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.31 -26.95 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -87.65 -31.38 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.866 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.94 -35.51 76.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.158 179.218 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -79.36 -8.71 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.96 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -46.01 -73.32 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 112.004 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.763 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -72.53 -4.28 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.277 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CG ' ' HD2' ' A' ' 23' ' ' LYS . 1.8 t80 -47.18 -28.88 2.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.723 0.297 . . . . 0.0 111.424 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.81 -59.21 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.561 ' HG3' HD13 ' B' ' 125' ' ' LEU . 9.0 mmt -58.63 -28.71 65.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 5.8 m-85 -57.74 -73.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -59.6 119.94 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.175 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.89 -49.12 6.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.787 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.776 179.796 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.489 HD13 ' CG ' ' A' ' 29' ' ' PHE . 65.5 mt -93.83 127.61 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -102.02 -163.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.608 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.615 ' CG2' HD12 ' A' ' 62' ' ' ILE . 1.3 p -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -34.58 64.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.362 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.37 -25.81 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.282 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.83 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -81.78 -57.57 3.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 111.202 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.9 5.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.84 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.65 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.83 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.763 HG21 ' CB ' ' A' ' 25' ' ' ALA . 6.5 p -60.57 -30.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.85 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -71.66 -32.92 68.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.607 -179.177 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -84.91 -26.86 27.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.488 ' HE2' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -93.84 10.23 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.593 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.023 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.9 mt -119.73 -41.33 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.72 -39.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.683 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -67.92 161.4 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 15.7 t30 -144.21 48.78 0.93 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.825 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.2 Cg_endo -76.02 107.93 2.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.39 2.06 . . . . 0.0 112.237 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.488 HG22 ' HG2' ' A' ' 57' ' ' GLU . 5.4 t -64.44 173.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -50.33 -38.26 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.179 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.4 m -68.89 -31.83 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' HG22 ' A' ' 54' ' ' THR . 16.0 mm-40 -72.24 -54.62 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 42' ' ' LEU . 2.5 mt -66.62 -28.04 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.125 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.43 -24.86 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.802 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.1 -30.06 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.769 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.7 mp -82.33 -58.34 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.615 HD12 ' CG2' ' A' ' 39' ' ' THR . 44.7 mt -45.67 -45.89 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 t -54.75 -42.89 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.399 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.93 -32.67 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.007 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.679 HG22 ' CB ' ' A' ' 81' ' ' MET . 53.1 t -65.15 -42.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.45 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.71 99.67 11.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.77 -27.79 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.34 -27.99 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.14 53.54 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.344 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 p -110.96 -24.85 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.278 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.64 -7.46 76.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.496 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -105.03 150.53 24.88 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.882 0.372 . . . . 0.0 110.709 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.419 HG12 HG11 ' A' ' 65' ' ' VAL . 44.0 mt -107.62 115.12 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.441 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -174.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.89 -78.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 7' ' ' GLN . 12.7 mm-40 -61.02 -26.84 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.1 mt-10 -52.87 -25.08 10.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.311 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 20.6 t80 -68.21 -15.35 63.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.365 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.779 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.7 mp -95.33 -42.31 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.759 0.314 . . . . 0.0 110.448 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.673 HG21 ' CG ' ' A' ' 6' ' ' GLN . 7.8 p -66.38 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.679 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.6 ptm -49.48 -42.55 43.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.593 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.1 OUTLIER -85.78 -23.78 27.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 79' ' ' LEU . 94.0 t -68.39 -38.14 78.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.977 0.418 . . . . 0.0 110.06 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -65.63 -24.87 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.774 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -99.3 -25.01 14.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.432 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 5.8 mtt -72.31 -39.3 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.585 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.03 0.443 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.655 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -80.43 0.46 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.898 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.85 -29.55 0.82 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.0 -66.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.735 ' CE ' HD12 ' B' ' 122' ' ' LEU . 2.5 ttp -56.13 -34.03 65.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.081 0.467 . . . . 0.0 109.879 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.735 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.7 mp -65.92 -40.99 91.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.068 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.64 14.17 14.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.023 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -78.51 -75.02 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.463 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.561 HD13 ' HG3' ' A' ' 28' ' ' MET . 6.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.464 ' CG ' HG21 ' A' ' 80' ' ' VAL . 7.6 pt20 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -76.62 -21.56 55.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.94 -50.6 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.85 -37.47 71.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.074 0.464 . . . . 0.0 110.11 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.746 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -45.37 -56.77 4.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.394 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.98 -26.01 13.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.43 18.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.254 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -24.95 59.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.039 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -112.24 171.09 7.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.29 160.71 17.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -27.49 7.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.241 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.52 -54.01 50.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.739 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.08 -27.57 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.936 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mt -74.66 -63.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.741 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 -26.3 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.191 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 23.4 mt-10 -90.26 -30.94 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.903 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.689 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -60.27 -33.48 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 179.078 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -79.44 -8.25 58.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.851 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.959 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.8 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -76.48 -2.73 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.316 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -46.44 -28.85 1.49 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.735 0.302 . . . . 0.0 111.538 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.77 -57.2 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.45 -28.28 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.761 ' HE1' HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.71 -75.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -52.35 118.55 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 -48.43 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.869 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 66.0 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.865 0.364 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.617 HD13 ' CD1' ' A' ' 29' ' ' PHE . 92.5 mt -100.3 120.25 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.23 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 p -106.78 -164.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.694 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.714 HG23 HD12 ' A' ' 62' ' ' ILE . 2.5 p -67.1 -28.63 68.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.172 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -81.26 -38.16 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.212 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.71 -16.63 63.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -83.82 -62.24 1.62 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.63 0.252 . . . . 0.0 111.085 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.32 -28.57 4.64 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.682 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -59.29 -75.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.919 0.39 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.3 p -63.89 -25.14 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.933 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -77.51 -32.48 54.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.41 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -83.71 -31.14 26.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.292 . . . . 0.0 111.439 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.479 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -90.15 10.09 25.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.102 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.8 mt -119.27 -38.55 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.349 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.55 -32.41 0.63 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.01 159.49 30.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.734 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.1 t30 -144.24 51.08 1.39 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.43 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.746 ' CG ' HD21 ' A' ' 58' ' ' LEU . 59.7 Cg_endo -71.74 107.98 2.32 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.503 2.135 . . . . 0.0 112.128 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 p -56.36 -178.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.51 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.07 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.771 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -59.15 5.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.746 HD21 ' CG ' ' A' ' 53' ' ' PRO . 11.9 mt -70.26 -36.09 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.744 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.65 -25.49 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.07 -32.09 59.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.3 -60.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 39' ' ' THR . 36.6 mt -43.17 -43.74 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.164 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.44 -41.56 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.32 -36.22 61.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.135 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 81' ' ' MET . 78.2 t -65.09 -56.25 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.91 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -81.43 -30.18 33.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.74 51.04 1.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.72 -25.05 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 0.0 111.187 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.21 0.31 85.86 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.559 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 38.7 p -111.65 144.18 41.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 77' ' ' GLU . 33.3 mt -102.84 118.84 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -168.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -61.12 -73.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.8 mm-40 -65.12 -28.03 69.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.592 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.597 ' HA ' HG12 ' A' ' 80' ' ' VAL . 5.4 mt-10 -52.1 -27.35 13.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.516 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 11.2 t80 -64.61 -16.04 62.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.157 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.1 mp -95.61 -49.35 5.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.2 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 77' ' ' GLU . 8.5 p -60.02 -30.56 45.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.0 OUTLIER -52.77 -42.17 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.765 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 2.2 mtp -86.69 -25.61 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 79' ' ' LEU . 75.9 t -61.47 -34.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.084 0.468 . . . . 0.0 110.135 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -73.12 -14.54 61.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.084 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -105.54 -22.39 13.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.874 0.369 . . . . 0.0 110.579 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.414 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 9.2 mtt -78.34 -47.07 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.861 0.363 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.765 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -86.81 5.34 37.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.838 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.409 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 19.3 t70 -51.55 -26.77 9.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.869 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.741 ' CE ' HD12 ' B' ' 122' ' ' LEU . 1.2 ttp -54.3 -33.61 59.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 109.961 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.741 HD12 ' CE ' ' B' ' 121' ' ' MET . 7.5 mp -65.67 -39.31 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.338 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -90.29 12.75 17.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.102 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -79.34 -69.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.859 0.361 . . . . 0.0 111.458 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.594 HD11 HG23 ' A' ' 45' ' ' VAL . 8.5 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.372 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.664 ' CD ' HG21 ' A' ' 80' ' ' VAL . 5.3 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.452 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.99 -32.8 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.07 15.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.83 -35.44 68.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.851 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -46.99 -58.57 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.405 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -52.59 -27.07 15.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.84 -19.47 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.252 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -25.63 61.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.988 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD22 ' HE1' ' A' ' 86' ' ' MET . 7.4 mt -112.11 165.63 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 160.51 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.678 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -50.04 -28.11 6.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.082 0.468 . . . . 0.0 110.188 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.11 -54.92 38.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.658 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -18.99 60.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.21 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.5 mt -82.56 -63.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.917 0.389 . . . . 0.0 110.75 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.84 -26.34 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -86.45 -32.8 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.104 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -33.61 72.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.753 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 6.3 tptp -74.3 -15.91 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.722 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.7 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.315 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.864 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -76.52 -0.91 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -50.59 -29.29 10.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.762 0.315 . . . . 0.0 111.376 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.19 -62.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.989 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtm -57.26 -26.9 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' HG11 ' A' ' 45' ' ' VAL . 2.1 m-85 -55.83 -69.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -59.08 119.72 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.83 -51.05 5.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.877 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.857 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.902 0.382 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.488 HD13 ' CG ' ' A' ' 29' ' ' PHE . 79.6 mt -97.97 125.87 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.139 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.87 -164.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.705 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.942 HG22 HD12 ' A' ' 62' ' ' ILE . 57.6 p -70.11 -37.51 75.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -73.43 -35.94 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.23 -24.18 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -79.14 -56.95 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.331 -179.558 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.88 -27.69 6.69 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.822 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.64 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.13 0.49 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.864 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.5 p -61.38 -28.69 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.988 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -32.73 62.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.624 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -83.03 -28.1 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 111.412 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.576 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -93.02 10.19 32.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.497 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.09 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.9 mt -119.19 -39.97 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.04 -39.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.637 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -67.96 156.95 36.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 4.1 t-20 -144.14 48.88 0.95 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HG2' HD21 ' A' ' 58' ' ' LEU . 58.3 Cg_endo -71.69 116.89 4.88 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.41 2.073 . . . . 0.0 112.228 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.6 p -58.38 179.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.12 78.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.45 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -60.38 -64.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' A' ' 53' ' ' PRO . 4.7 mt -62.91 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.545 ' OD1' HG21 ' A' ' 39' ' ' THR . 4.4 m-20 -64.69 -28.13 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.54 61.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.2 mp -79.9 -60.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.338 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.942 HD12 HG22 ' A' ' 39' ' ' THR . 39.3 mt -44.63 -44.65 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.84 -38.0 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -78.4 -33.38 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.158 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 81' ' ' MET . 72.8 t -68.03 -54.69 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.62 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.57 112.87 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -99.08 28.39 4.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -149.16 22.1 0.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.43 48.19 55.2 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.697 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -27.75 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 66.95 14.55 63.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.59 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 p -116.38 144.7 43.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 49.9 mt -103.6 108.04 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.247 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.82 -167.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.29 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.5 mp0 -65.57 -21.24 66.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.4 mt-10 -52.57 -26.93 14.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.524 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 35.9 t80 -70.11 -14.42 62.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.88 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 mp -95.07 -32.36 13.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.664 HG21 ' CD ' ' A' ' 6' ' ' GLN . 6.0 p -79.03 -29.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.524 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.8 ptm -53.11 -41.09 64.67 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.547 0.689 . . . . 0.0 110.09 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.856 ' HE3' ' HB3' ' B' ' 118' ' ' ALA . 5.3 mtt -78.21 -33.18 50.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.627 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 79' ' ' LEU . 52.9 t -67.38 -22.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.965 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -16.84 49.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -108.9 -35.55 6.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.97 0.414 . . . . 0.0 110.481 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.529 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 7.0 mtt -60.27 -58.95 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HD3' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.856 ' HB3' ' HE3' ' A' ' 82' ' ' MET . . . -79.04 0.73 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.395 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -47.23 -27.47 1.52 Allowed 'General case' 0 CA--C 1.528 0.101 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.05 -67.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.811 0.338 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.705 ' HG3' HD12 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -54.61 -32.25 58.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.653 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.58 -37.85 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.266 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.16 0.65 57.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.009 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.09 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -66.86 -71.91 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.878 0.37 . . . . 0.0 111.691 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.666 HD11 HG23 ' A' ' 45' ' ' VAL . 7.0 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.285 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.712 0.291 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.471 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.7 pm0 -61.33 -34.17 74.83 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 110.578 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -52.88 16.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.829 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.42 -35.04 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -49.65 -57.61 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.096 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -26.64 15.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.837 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.51 19.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.269 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.67 -27.15 60.29 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.837 0.351 . . . . 0.0 111.023 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.62 167.31 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 162.61 18.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -50.35 -27.21 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.1 0.476 . . . . 0.0 110.207 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -59.53 -60.13 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.779 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.428 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.27 -24.19 10.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.14 -63.66 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.745 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.93 -26.88 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.992 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 16.8 mt-10 -88.9 -27.96 20.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.046 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -63.9 -42.77 97.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.125 179.304 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -69.21 -14.7 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.852 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -48.75 -68.76 0.15 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.026 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -80.91 -2.43 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 18.1 t80 -53.82 -24.84 16.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -83.52 -61.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.403 ' HG3' HD13 ' B' ' 125' ' ' LEU . 4.1 mmt -54.83 -27.28 40.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 45' ' ' VAL . 3.2 m-85 -57.69 -75.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -55.81 119.82 6.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.163 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.62 -51.87 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.843 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.767 179.796 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 32.3 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.819 0.343 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 70.4 mt -93.98 122.32 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 p -107.0 -164.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.645 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.843 HG22 HD12 ' A' ' 62' ' ' ILE . 68.4 p -68.17 -30.37 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.066 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.78 -40.66 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.22 -24.94 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.812 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.07 -51.17 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.232 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.75 -20.23 39.05 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.616 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.5 m -65.6 -79.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.992 0.425 . . . . 0.0 111.254 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.642 ' N ' HG22 ' A' ' 44' ' ' THR . 3.2 p -56.5 -38.75 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.169 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.487 ' SD ' ' HE2' ' B' ' 121' ' ' MET . 2.5 mmt -65.07 -24.43 67.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.625 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -88.96 -28.99 19.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.547 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.05 10.13 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.528 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.038 HD22 ' HB1' ' B' ' 124' ' ' ALA . 34.7 mt -115.96 -40.28 3.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.359 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.14 -34.79 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.364 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.9 168.9 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.711 0.291 . . . . 0.0 110.564 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 1.7 t30 -144.19 44.93 0.5 Allowed Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 52' ' ' ASN . 52.1 Cg_exo -52.44 107.83 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 121.92 1.747 . . . . 0.0 112.068 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -60.41 167.88 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -57.03 -28.49 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 p -85.95 -33.32 21.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 61' ' ' ILE . 17.6 mt-10 -58.25 -60.19 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mt -63.72 -32.48 73.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.669 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.95 -25.23 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.688 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.37 -33.03 37.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mp -78.64 -57.39 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.441 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.843 HD12 HG22 ' A' ' 39' ' ' THR . 52.3 mt -46.88 -45.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.27 -34.06 71.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -82.65 -33.31 27.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.223 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.3 t -68.1 -49.69 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.98 117.65 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.088 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -102.7 28.03 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -148.6 21.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.07 56.9 12.39 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.73 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -119.58 -35.44 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 79.1 4.9 89.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.634 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.426 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.6 p -110.19 144.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.549 HG21 ' HD1' ' A' ' 78' ' ' PHE . 34.0 mt -105.21 119.0 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.366 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.42 -169.2 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.84 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 79' ' ' LEU . 13.4 mp0 -60.82 -29.11 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.711 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.8 mt-10 -53.23 -26.41 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.549 ' HD1' HG21 ' A' ' 73' ' ' ILE . 19.3 t80 -71.59 -11.98 61.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.096 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 76' ' ' GLU . 1.2 mp -95.54 -45.49 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 110.048 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.471 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.4 p -62.2 -30.3 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.917 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.508 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 2.1 ptm -53.57 -42.74 67.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.155 0.502 . . . . 0.0 110.381 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.912 ' HE3' HD21 ' B' ' 122' ' ' LEU . 3.2 ttm -80.08 -28.91 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 79' ' ' LEU . 73.5 t -63.41 -30.86 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.551 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -77.26 -18.48 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -108.12 -14.61 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.523 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.4 mtm -81.98 -56.58 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HD3' HG12 ' A' ' 83' ' ' VAL . 6.4 ptmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.894 0.378 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.602 ' HB3' ' HE1' ' A' ' 82' ' ' MET . . . -76.95 -5.65 49.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.798 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 123' ' ' ARG . 28.4 t70 -42.79 -27.92 0.21 Allowed 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.93 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.56 -66.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.619 0.247 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.487 ' HE2' ' SD ' ' A' ' 46' ' ' MET . 0.1 OUTLIER -55.26 -39.85 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.912 HD21 ' HE3' ' A' ' 82' ' ' MET . 7.6 mp -60.34 -32.61 71.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.07 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' B' ' 119' ' ' ASP . 16.7 ttt85 -90.13 -19.83 23.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.038 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -56.94 -69.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 25' ' ' ALA . 9.0 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.902 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.737 0.303 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 2.3 mp0 -64.64 -17.3 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.3 -50.55 5.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.26 -43.05 87.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.444 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.928 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.66 -57.78 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.532 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.674 ' HA ' HD22 ' A' ' 79' ' ' LEU . 2.9 mtt180 -52.81 -29.3 26.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.02 21.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.174 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.27 -19.75 63.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.07 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.596 HD12 HD23 ' A' ' 79' ' ' LEU . 9.9 mt -116.28 163.55 15.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.63 163.64 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -50.04 -27.76 6.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -58.62 7.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.641 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.411 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -58.41 -21.63 51.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 11' ' ' ARG . 57.1 mt -82.09 -64.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.05 -26.32 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 27.6 mt-10 -87.63 -30.95 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.166 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.2 -35.29 76.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.874 179.163 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tptt -78.61 -9.18 59.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.84 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.96 -72.2 0.06 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.017 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -79.58 -0.93 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 12.5 t80 -52.75 -25.14 10.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.681 0.276 . . . . 0.0 111.48 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.27 -65.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -26.46 23.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CE1' HG11 ' A' ' 45' ' ' VAL . 1.5 m-85 -55.85 -70.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -57.16 119.58 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.31 -51.51 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.968 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 94.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.917 0.389 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 41' ' ' GLU . 79.3 mt -101.42 129.92 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -111.66 -164.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.755 HG21 ' OD1' ' A' ' 59' ' ' ASP . 66.9 p -70.22 -23.88 63.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.21 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -37.56 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.203 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HB2' HG23 ' A' ' 37' ' ' ILE . 9.8 mt-10 -64.49 -18.02 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.48 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -81.25 -57.33 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.256 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.48 -26.8 5.39 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.676 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.5 m -58.72 -79.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.706 HG22 HD12 ' A' ' 49' ' ' LEU . 6.2 p -60.02 -32.67 50.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.973 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 mmt -68.49 -32.09 71.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -83.32 -28.51 28.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 111.563 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.586 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -94.12 10.29 34.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.566 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.977 HD22 ' HB1' ' B' ' 124' ' ' ALA . 22.5 mt -118.71 -40.93 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.52 -36.32 0.43 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -67.91 163.54 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 9.5 t30 -144.22 46.67 0.66 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.784 ' HG2' HD21 ' A' ' 58' ' ' LEU . 98.2 Cg_endo -77.63 107.66 2.42 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.238 1.959 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -60.54 178.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -56.45 -32.64 65.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -73.79 -44.18 56.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 61' ' ' ILE . 14.3 mm-40 -56.85 -45.82 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.784 HD21 ' HG2' ' A' ' 53' ' ' PRO . 1.2 mt -78.76 -22.63 46.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.755 ' OD1' HG21 ' A' ' 39' ' ' THR . 1.8 m-20 -71.99 -27.88 63.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.997 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.51 56.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.37 -59.66 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.736 HD12 HG22 ' A' ' 39' ' ' THR . 51.8 mt -44.75 -47.92 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.38 -34.01 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -83.68 -32.83 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.969 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 81' ' ' MET . 39.8 t -64.4 -50.67 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.5 103.0 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -71.53 -26.36 62.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.88 -26.59 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 56.77 1.54 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 -15.55 12.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.63 0.253 . . . . 0.0 111.465 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.55 4.17 69.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.229 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.45 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.2 p -114.57 138.79 50.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.831 0.348 . . . . 0.0 110.742 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.7 mt -98.85 110.48 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.479 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -170.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.09 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.7 mm-40 -65.63 -20.21 66.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.69 -22.83 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.218 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 24.9 t80 -70.98 -9.59 58.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.694 0.283 . . . . 0.0 111.003 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.896 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -95.42 -39.75 9.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 109.984 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.928 HG22 ' HB2' ' A' ' 10' ' ' ALA . 43.5 t -65.81 -32.73 59.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.699 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.581 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.2 ptm -52.93 -41.55 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.75 ' CE ' HD21 ' B' ' 122' ' ' LEU . 4.0 ttm -84.7 -30.49 24.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.498 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 79' ' ' LEU . 96.3 t -63.04 -37.92 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -15.94 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.382 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -109.3 -24.57 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.558 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 7.4 mtt -73.79 -44.89 54.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.823 179.778 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.955 0.407 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.533 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -67.62 -10.83 55.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.501 ' HA ' HD22 ' B' ' 122' ' ' LEU . 24.8 t70 -41.22 -28.13 0.09 Allowed 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.09 -61.01 2.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.432 ' HG3' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -58.44 -37.16 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.063 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.75 HD21 ' CE ' ' A' ' 82' ' ' MET . 5.2 mp -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.07 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 13.91 14.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.977 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -86.4 -72.39 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.515 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 25' ' ' ALA . 6.3 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.632 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.631 ' HG3' HG21 ' A' ' 80' ' ' VAL . 13.8 pt20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.445 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -73.1 -18.98 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.58 -49.22 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.96 -37.15 73.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 0.0 109.773 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -46.97 -57.31 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.312 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.27 -25.92 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.849 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.12 19.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -27.16 52.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.972 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.509 HD22 ' HE1' ' A' ' 86' ' ' MET . 13.9 mt -105.23 154.59 20.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.1 161.23 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.617 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.95 -27.94 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -61.73 -53.74 52.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.645 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -21.99 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -80.92 -64.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.978 0.418 . . . . 0.0 110.643 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -25.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -87.75 -32.69 18.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.147 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.24 -33.47 72.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.904 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -74.98 -17.26 60.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.93 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.23 -74.04 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.19 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.74 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -75.82 -3.52 35.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.454 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 43.9 t80 -52.36 -27.09 14.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.78 -61.09 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mmt -57.68 -28.28 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE1' HG11 ' A' ' 45' ' ' VAL . 3.0 m-85 -57.01 -74.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -55.42 119.15 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.158 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.9 -46.97 6.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.981 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 52.3 m-20 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 41' ' ' GLU . 51.2 mt -123.34 129.48 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.59 -163.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' HD12 ' A' ' 62' ' ' ILE . 3.3 p -65.21 -27.17 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -80.87 -49.86 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.155 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HB2' HG23 ' A' ' 37' ' ' ILE . 8.9 mt-10 -55.88 -22.73 27.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.374 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.561 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.43 -43.91 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.712 0.291 . . . . 0.0 111.124 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.66 -9.98 53.18 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.808 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -78.46 -75.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.49 . . . . 0.0 111.232 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.74 HG21 ' CB ' ' A' ' 25' ' ' ALA . 5.9 p -58.48 -37.53 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.301 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 2.4 mtp -68.25 -30.2 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -81.3 -29.88 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.515 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -94.11 10.18 34.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.531 -179.682 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.042 HD22 ' HB1' ' B' ' 124' ' ' ALA . 20.1 mt -117.85 -40.42 3.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.59 -39.23 0.36 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.627 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.95 160.39 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.727 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 t30 -144.19 51.13 1.41 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HG2' HD21 ' A' ' 58' ' ' LEU . 61.5 Cg_endo -73.77 108.4 2.63 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.458 2.106 . . . . 0.0 112.158 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.78 -177.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -55.23 37.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 p -58.98 -31.66 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -61.62 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.666 HD21 ' HG2' ' A' ' 53' ' ' PRO . 8.1 mt -67.32 -32.82 74.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -65.03 -27.53 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.11 62.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 110.726 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.4 mp -80.5 -60.05 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.336 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.489 HD12 ' CG2' ' A' ' 39' ' ' THR . 41.9 mt -45.63 -39.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.8 -40.36 97.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.649 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -37.99 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' A' ' 81' ' ' MET . 60.0 t -66.12 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.35 92.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.035 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.94 -29.89 68.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.84 -28.2 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.42 58.19 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -115.7 -30.21 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.82 -8.17 80.34 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.351 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 55.1 p -104.82 128.36 52.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.414 HD12 HG22 ' A' ' 37' ' ' ILE . 22.3 mt -90.59 107.84 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -65.25 -79.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.597 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.2 mm-40 -61.24 -22.76 65.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.2 mt-10 -52.74 -29.63 28.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.597 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.9 t80 -67.2 -14.7 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.743 0.306 . . . . 0.0 110.752 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -92.73 -40.98 10.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.604 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.631 HG21 ' HG3' ' A' ' 6' ' ' GLN . 6.8 p -69.18 -37.42 76.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.62 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.1 ptm -49.04 -41.35 34.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.681 0.753 . . . . 0.0 110.201 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.931 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 32.9 mtp -75.6 -30.54 59.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.772 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 79' ' ' LEU . 50.4 t -69.37 -31.41 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.677 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -22.39 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -106.04 -20.43 13.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.509 ' HE1' HD22 ' A' ' 14' ' ' LEU . 6.2 mtm -75.8 -40.37 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.457 ' HD3' HG12 ' A' ' 83' ' ' VAL . 2.1 mtpp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.898 0.38 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.931 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -81.36 -0.39 41.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.03 -26.51 2.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.183 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.69 -69.54 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.715 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.7 OUTLIER -54.03 -32.4 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 110.194 179.318 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.715 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.87 -39.24 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.278 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 39.0 ttp85 -90.2 10.64 23.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.042 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.35 -70.34 0.48 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.98 0.419 . . . . 0.0 111.345 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.538 HD11 HG23 ' A' ' 45' ' ' VAL . 8.1 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.322 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.527 ' CD ' HG21 ' A' ' 80' ' ' VAL . 3.9 pt20 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.6 mt-30 -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.31 -50.06 10.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.2 mt-10 -57.08 -37.12 71.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 109.855 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.66 -61.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.386 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -51.53 -26.98 9.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.62 -22.2 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.13 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.1 t80 -77.24 -27.03 53.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.71 153.43 21.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 161.3 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -27.29 5.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.055 0.455 . . . . 0.0 110.224 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -61.03 -57.41 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.767 179.53 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.438 ' HG2' ' HE1' ' A' ' 86' ' ' MET . 0.1 OUTLIER -54.94 -22.43 14.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.332 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.9 mt -80.31 -63.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 110.797 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.97 -25.67 1.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.402 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 5.7 mm-40 -90.45 -30.82 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD2' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.76 -34.31 74.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.81 179.112 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 10.0 tptt -75.0 -13.14 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.734 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.85 -80.13 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.828 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -75.31 -6.48 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -46.17 -29.85 1.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.655 0.264 . . . . 0.0 111.53 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -82.07 -59.7 2.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.558 ' SD ' HD13 ' B' ' 125' ' ' LEU . 1.6 mpt? -59.26 -26.66 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.758 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -58.69 -71.42 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -53.86 118.29 3.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.65 -46.16 6.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.049 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.065 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.995 0.426 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 29' ' ' PHE . 96.8 mt -111.34 118.84 58.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.276 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -102.78 -162.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.729 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.877 HG22 HD12 ' A' ' 62' ' ' ILE . 76.3 p -69.58 -27.85 65.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.254 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -26.54 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.421 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -74.31 -21.52 59.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.44 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.786 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -79.29 -61.68 1.93 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.69 0.281 . . . . 0.0 111.081 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.29 -28.41 3.21 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.575 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.668 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.65 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.828 HG21 ' CB ' ' A' ' 25' ' ' ALA . 8.0 p -64.88 -25.08 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.814 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.04 -31.57 58.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.621 0.248 . . . . 0.0 111.334 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -83.79 -31.28 25.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.381 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.68 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -90.13 10.1 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.047 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.6 mt -118.83 -37.83 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.056 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.21 -34.26 0.66 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.652 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.98 157.25 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.795 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.9 t-20 -144.18 50.3 1.23 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.617 ' HG2' HD21 ' A' ' 58' ' ' LEU . 47.9 Cg_endo -68.35 107.85 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.461 2.107 . . . . 0.0 112.038 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 57' ' ' GLU . 1.7 t -54.34 173.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.001 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -23.76 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 54.3 m -83.57 -30.3 27.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 0.0 111.306 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.608 ' HG3' HG22 ' A' ' 54' ' ' THR . 3.7 mt-10 -66.45 -54.18 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.106 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.786 HD22 ' HB3' ' A' ' 42' ' ' LEU . 5.4 mt -71.4 -15.01 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.7 -29.39 27.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.831 0.348 . . . . 0.0 110.789 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.43 62.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mp -78.93 -64.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.877 HD12 HG22 ' A' ' 39' ' ' THR . 50.2 mt -44.77 -31.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.75 -41.26 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.31 -40.81 58.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.478 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.605 HG11 ' HB3' ' A' ' 81' ' ' MET . 46.2 t -63.85 -50.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.834 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -75.83 80.66 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.22 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.49 -28.59 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.54 58.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 p -116.43 -31.87 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.91 -10.33 74.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.406 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.7 p -104.96 138.8 40.62 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.882 0.372 . . . . 0.0 110.758 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 77' ' ' GLU . 36.1 mt -97.95 116.55 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.53 -171.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.16 -69.08 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.077 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 7' ' ' GLN . 13.7 mp0 -70.65 -25.33 62.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 81' ' ' MET . 11.2 mt-10 -51.49 -25.63 6.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.469 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.522 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 9.6 t80 -67.35 -14.22 62.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.125 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.4 mp -95.32 -44.96 7.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.284 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.527 HG21 ' CD ' ' A' ' 6' ' ' GLN . 9.0 p -64.51 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.605 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.1 ptm -53.94 -42.55 68.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.115 0.484 . . . . 0.0 110.252 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.681 ' CE ' HD21 ' B' ' 122' ' ' LEU . 3.7 ttm -79.74 -30.89 40.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 79' ' ' LEU . 87.7 t -61.53 -42.42 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -17.24 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.396 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -108.48 -23.9 11.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.448 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.9 mtm -74.68 -39.93 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.824 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.783 0.325 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.576 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -69.7 -10.96 60.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 42.9 t0 -43.29 -28.83 0.35 Allowed 'General case' 0 CA--C 1.527 0.059 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.671 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.36 -61.01 2.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.661 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.0 ttp -59.62 -33.3 71.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 109.9 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.681 HD21 ' CE ' ' A' ' 82' ' ' MET . 9.2 mp -66.61 -37.05 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.908 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -90.42 11.76 20.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.616 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.047 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -78.93 -68.36 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.012 0.434 . . . . 0.0 111.821 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 45' ' ' VAL . 10.9 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.783 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.791 ' HG3' HG21 ' A' ' 80' ' ' VAL . 16.5 pt20 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.743 0.306 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 3.6 mt-30 -69.87 -25.68 63.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.86 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.8 mm-40 -55.61 -37.05 67.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.174 0.511 . . . . 0.0 109.744 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.77 -57.29 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.181 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -27.84 17.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.027 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.17 -19.91 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.447 ' CD2' HG11 ' A' ' 83' ' ' VAL . 6.6 m-85 -74.83 -18.66 60.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.235 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.758 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -120.97 168.09 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.939 0.399 . . . . 0.0 111.013 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.53 162.06 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -27.76 6.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 0.0 110.215 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.1 -57.24 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.674 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.758 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.51 -20.82 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -81.01 -61.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.9 -27.08 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.267 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 16.2 mt-10 -88.68 -31.26 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.877 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.698 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -59.82 -34.56 73.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.142 179.182 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.962 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.11 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.655 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -71.77 -4.74 29.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.2 t80 -46.76 -28.33 1.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.69 0.281 . . . . 0.0 111.593 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.5 -56.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.489 ' HG3' HD13 ' B' ' 125' ' ' LEU . 1.2 mmt -58.37 -35.11 71.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.702 ' CD1' HD13 ' A' ' 37' ' ' ILE . 1.7 m-85 -54.51 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -58.17 119.02 6.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -50.98 5.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.724 179.828 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 97.2 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.702 HD13 ' CD1' ' A' ' 29' ' ' PHE . 81.1 mt -96.57 126.95 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.77 -164.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.734 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.915 HG22 HD12 ' A' ' 62' ' ' ILE . 51.3 p -66.86 -43.49 83.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.102 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.93 -41.76 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.51 -22.69 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.388 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.69 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -81.5 -60.33 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.043 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -46.29 -26.98 2.54 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.953 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.64 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.8 m -65.01 -80.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.434 . . . . 0.0 111.149 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.685 HG23 HD11 ' B' ' 125' ' ' LEU . 4.0 p -57.11 -36.22 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.15 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.623 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.59 -32.41 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 7.6 mtp-105 -84.64 -27.56 27.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.659 0.266 . . . . 0.0 111.689 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.679 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -92.82 10.17 32.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.63 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.031 HD22 ' HB1' ' B' ' 124' ' ' ALA . 15.2 mt -119.81 -39.93 2.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.698 0.285 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 161.3 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.8 t-20 -144.16 48.52 0.9 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.387 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.82 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.5 Cg_endo -75.62 107.84 2.56 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.434 2.09 . . . . 0.0 112.12 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -175.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HE3' HG21 ' A' ' 39' ' ' THR . 5.7 tptm -58.72 -39.53 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.58 -36.32 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 61' ' ' ILE . 4.8 mm-40 -62.51 -53.37 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.82 HD21 ' HG2' ' A' ' 53' ' ' PRO . 4.3 mt -70.82 -28.42 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.14 -26.17 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.18 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.9 mp -83.03 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.915 HD12 HG22 ' A' ' 39' ' ' THR . 48.2 mt -43.23 -40.95 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.134 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.02 -45.9 91.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.62 -33.24 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 81' ' ' MET . 76.8 t -64.7 -48.2 85.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.565 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.8 119.14 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.043 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.24 -26.44 21.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -99.3 20.23 14.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.46 53.44 20.41 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.662 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.73 -18.36 13.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.25 . . . . 0.0 111.329 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.41 11.46 62.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.358 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.462 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 56.5 p -117.23 148.28 41.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 77' ' ' GLU . 24.3 mt -115.55 110.1 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.488 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -73.31 -167.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.756 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.95 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.722 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.26 -30.03 61.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.731 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.623 ' HB3' HG23 ' A' ' 73' ' ' ILE . 5.2 mt-10 -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.361 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.8 t80 -64.26 -15.81 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.378 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 mp -95.5 -44.75 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 110.411 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.791 HG21 ' HG3' ' A' ' 6' ' ' GLN . 8.5 p -64.32 -32.51 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.655 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.636 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -50.77 -42.77 58.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.746 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.2 OUTLIER -86.55 -24.78 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.075 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.94 HG13 ' HE2' ' A' ' 87' ' ' LYS . 91.9 t -65.64 -39.35 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.978 0.418 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -69.65 -16.0 63.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -103.47 -30.92 10.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.37 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.514 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 8.0 mtt -67.93 -56.1 10.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.693 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.94 ' HE2' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.746 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -82.47 4.83 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.643 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -45.14 -28.85 0.8 Allowed 'General case' 0 C--N 1.338 0.082 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.893 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.38 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.695 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.768 ' HG3' HD12 ' A' ' 49' ' ' LEU . 11.3 ttp -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 109.825 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.698 HD21 ' CE1' ' A' ' 22' ' ' PHE . 9.4 mp -64.94 -36.15 83.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.205 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -90.75 12.81 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.031 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -84.67 -70.15 0.6 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.89 0.376 . . . . 0.0 111.869 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 45' ' ' VAL . 7.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.863 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.598 ' NE2' HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.687 0.28 . . . . 0.0 111.357 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.07 -9.2 59.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.247 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.41 -50.92 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.318 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -54.89 -42.89 72.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.258 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.987 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -43.88 -57.48 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.439 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.666 ' HA ' HD22 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -53.88 -25.7 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.794 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.04 -19.69 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CE1' ' HD2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -69.44 -12.96 62.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.288 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.815 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -126.73 167.6 15.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.48 160.63 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.83 -27.96 5.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.19 0.519 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.98 -53.71 51.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.597 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.815 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.47 -22.1 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.078 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 11' ' ' ARG . 60.9 mt -78.36 -64.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.709 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.21 -27.42 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.15 -32.42 18.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.389 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.746 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -60.59 -34.79 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.266 179.373 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 9.0 tmtt? -78.93 -11.52 60.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.115 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.44 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.8 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -70.62 -6.6 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.286 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 39.6 t80 -43.66 -30.42 0.62 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.712 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.04 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.508 ' HG3' HD13 ' B' ' 125' ' ' LEU . 4.4 mmm -57.68 -28.35 63.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.762 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -58.17 -74.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -55.01 119.06 4.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.854 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' A' ' 29' ' ' PHE . 85.9 mt -98.41 116.13 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.26 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -97.61 -163.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.682 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.688 HG22 HD12 ' A' ' 62' ' ' ILE . 23.6 p -67.24 -38.74 85.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.242 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.97 63.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.96 -22.46 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.799 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -80.56 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 111.032 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.17 -29.22 4.74 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.602 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.686 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -58.07 -78.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.4 p -61.81 -27.11 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.916 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.93 -32.4 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.566 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -85.76 -28.43 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.649 0.261 . . . . 0.0 111.353 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.512 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -91.69 10.2 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.506 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.021 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.6 mt -120.1 -40.54 2.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.769 0.318 . . . . 0.0 110.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -35.52 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.66 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.95 158.42 32.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t-20 -144.23 50.57 1.28 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HG2' HD21 ' A' ' 58' ' ' LEU . 59.9 Cg_endo -72.25 113.57 3.74 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.472 2.114 . . . . 0.0 112.272 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -57.02 -170.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' H ' HG22 ' A' ' 54' ' ' THR . 13.1 tptt -65.8 -54.67 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -34.19 68.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.33 -59.71 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 42' ' ' LEU . 6.2 mt -67.21 -31.23 71.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.03 -24.98 62.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.98 -33.95 57.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 110.739 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.8 mp -76.64 -60.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.688 HD12 HG22 ' A' ' 39' ' ' THR . 48.2 mt -43.96 -49.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -36.07 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.342 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -33.93 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.745 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 81' ' ' MET . 86.3 t -65.29 -58.43 7.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.311 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.68 114.85 4.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.232 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -89.16 -23.04 22.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -102.45 18.98 19.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 50.69 56.86 11.96 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.54 -18.93 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.562 0.22 . . . . 0.0 111.321 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.16 8.67 62.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.308 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 p -121.92 146.55 47.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.915 0.388 . . . . 0.0 110.752 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.5 mt -103.82 118.77 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.294 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -168.72 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -61.48 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.63 -24.57 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.9 mt-10 -53.65 -25.12 16.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.171 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.485 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 19.0 t80 -62.91 -16.01 57.43 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.758 0.313 . . . . 0.0 110.938 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.938 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 mp -95.25 -38.91 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 109.919 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.987 HG22 ' HB2' ' A' ' 10' ' ' ALA . 25.1 t -67.75 -37.37 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.836 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.716 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.0 ptm -45.48 -38.64 6.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.666 0.745 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.63 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 1.1 mmm -92.82 -27.97 16.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.36 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 79' ' ' LEU . 99.8 t -65.8 -42.07 91.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.874 0.368 . . . . 0.0 110.609 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.559 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.56 -27.18 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.211 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.85 12.6 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.417 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.558 ' CE ' HD21 ' A' ' 14' ' ' LEU . 2.5 mtt -103.91 -46.95 4.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.314 . . . . 0.0 110.7 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 2.7 mtpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.043 0.449 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.682 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -77.52 -1.97 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.964 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 22.5 t0 -45.06 -29.4 0.87 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.753 0.311 . . . . 0.0 110.939 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.54 -67.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.688 ' CE ' HD12 ' B' ' 122' ' ' LEU . 4.3 ttp -55.86 -34.61 65.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.183 0.516 . . . . 0.0 109.835 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.746 HD21 ' CE1' ' A' ' 22' ' ' PHE . 10.9 mp -64.56 -41.12 96.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.56 12.53 18.5 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.123 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.021 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.29 -73.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 111.411 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.574 HD11 HG23 ' A' ' 45' ' ' VAL . 7.1 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.397 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.682 ' CD ' HG21 ' A' ' 80' ' ' VAL . 4.0 pt20 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.486 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 2.2 mt-30 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.95 -48.66 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.759 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.8 mt-10 -52.58 -35.92 54.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.231 0.539 . . . . 0.0 109.751 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.54 -60.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.339 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HG3' HD22 ' A' ' 79' ' ' LEU . 4.4 ttp180 -51.65 -27.38 11.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.68 -21.18 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.195 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -76.23 -24.62 54.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD22 ' HE1' ' A' ' 86' ' ' MET . 14.1 mt -109.02 158.94 17.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.28 160.31 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.601 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.83 -27.79 5.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 0.0 110.163 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.63 16.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.744 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -21.19 47.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' PHE . 36.4 mt -80.66 -63.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.91 0.386 . . . . 0.0 110.724 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.37 -28.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.001 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 21.0 mt-10 -87.26 -33.92 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.985 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.07 -35.6 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.891 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -70.56 -21.43 62.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.893 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.03 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.464 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.869 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -77.08 -1.03 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 8.2 t80 -52.62 -25.45 10.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 111.48 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.91 -63.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.412 ' SD ' ' HE1' ' A' ' 48' ' ' MET . 11.6 mtt -56.83 -25.59 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 45' ' ' VAL . 1.5 m-85 -55.0 -66.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.59 120.31 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -50.71 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.911 0.386 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 78.6 mt -96.92 117.85 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -91.23 -164.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -66.27 -55.87 13.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.041 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -61.26 -36.06 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB3' HG23 ' A' ' 37' ' ' ILE . 10.8 mt-10 -56.59 -24.14 45.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.419 ' CD2' HG21 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -82.71 -57.03 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.24 -27.1 7.14 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.684 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -55.52 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 111.065 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.869 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.3 p -62.77 -26.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.781 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.07 -30.86 61.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 -28.83 21.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.639 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.7 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -91.23 10.05 28.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.564 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.999 HD22 ' HB1' ' B' ' 124' ' ' ALA . 18.4 mt -119.45 -39.93 2.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.5 -34.67 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.544 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.92 159.79 29.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.799 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 5.4 t-20 -144.23 50.32 1.23 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.736 ' CG ' HD21 ' A' ' 58' ' ' LEU . 72.1 Cg_endo -73.69 107.89 2.51 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.429 2.086 . . . . 0.0 112.11 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -57.66 -179.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.998 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 54' ' ' THR . 8.7 tptt -56.19 -46.89 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -31.3 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -60.35 -55.19 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' A' ' 53' ' ' PRO . 6.2 mt -73.38 -31.58 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.06 -27.02 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -29.9 57.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.78 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.6 mp -82.96 -60.78 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.374 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 39' ' ' THR . 41.7 mt -43.34 -43.63 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.1 t -56.67 -44.98 81.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.225 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.77 -32.18 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.994 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.589 HG22 ' CB ' ' A' ' 81' ' ' MET . 81.0 t -65.87 -46.55 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.473 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.79 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.078 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -27.54 62.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -82.6 -29.99 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.007 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.96 52.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.315 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.67 -26.47 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.25 -5.48 82.97 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.595 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 p -105.25 148.84 26.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.4 mt -105.33 112.31 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.37 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -169.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -58.31 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.8 mt-10 -68.0 -19.01 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.415 ' HG3' ' HG2' ' A' ' 7' ' ' GLN . 2.2 mt-10 -52.62 -27.01 15.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.512 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 25.1 t80 -72.35 -11.01 60.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.063 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -95.19 -35.67 11.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.808 0.337 . . . . 0.0 110.693 179.562 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 ' CD ' ' A' ' 6' ' ' GLN . 4.2 p -74.26 -32.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.589 ' CB ' HG22 ' A' ' 65' ' ' VAL . 2.9 ptm -50.93 -40.89 58.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.325 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.896 ' HE3' ' HB3' ' B' ' 118' ' ' ALA . 4.7 mtt -74.32 -37.7 63.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.882 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 79' ' ' LEU . 41.7 t -63.37 -37.86 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -19.66 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.257 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 81' ' ' MET . 1.9 mm-40 -110.03 -25.39 10.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.515 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtt -70.76 -34.11 71.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.577 ' HD3' HG12 ' A' ' 83' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.022 0.439 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.896 ' HB3' ' HE3' ' A' ' 82' ' ' MET . . . -77.87 0.64 23.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.294 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -44.78 -28.46 0.64 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.685 0.279 . . . . 0.0 111.29 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.53 -65.11 0.62 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.677 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.4 ttp -56.4 -35.25 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 0.0 110.059 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.542 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.0 mp -66.3 -36.87 84.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.177 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -90.26 11.87 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.999 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -79.72 -73.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 111.45 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.7 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.5 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.379 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.83 0.348 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -73.91 -12.93 60.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.12 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.15 -49.99 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.33 -41.73 69.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -43.32 -61.19 1.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.528 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.3 ttp180 -52.11 -26.17 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.75 -20.75 20.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.239 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 67.3 t80 -67.34 -32.62 73.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD21 ' CE ' ' A' ' 86' ' ' MET . 4.6 mt -107.0 164.95 11.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 160.39 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -27.77 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 110.041 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.8 mm-40 -63.34 -63.37 1.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.644 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -23.74 9.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 11' ' ' ARG . 44.7 mt -75.33 -60.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.081 0.467 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.15 -24.51 10.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.46 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -86.58 -34.11 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.194 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.36 -34.5 76.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.227 179.537 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -71.2 -17.87 62.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.34 179.151 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.05 -70.93 0.08 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.82 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -66.72 -10.27 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.148 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.7 t80 -49.65 -28.64 6.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -76.72 -60.75 2.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.826 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.504 ' HG3' HD13 ' B' ' 125' ' ' LEU . 3.6 mmt -61.73 -29.06 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 2.6 m-85 -55.34 -63.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -68.37 119.7 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.29 -50.75 5.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.886 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 61.4 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.523 HD13 ' CG ' ' A' ' 29' ' ' PHE . 61.3 mt -91.04 117.64 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.05 -164.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.608 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -68.44 -45.76 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -67.71 -29.37 68.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.06 -25.85 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.245 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.604 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.94 -56.8 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 111.179 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.99 -26.22 26.43 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.4 m -58.01 -79.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.928 0.394 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.638 ' N ' HG22 ' A' ' 44' ' ' THR . 2.7 p -55.43 -26.42 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mmt -79.62 -29.65 41.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -87.03 -26.27 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.542 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.599 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -89.98 -11.97 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.478 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.641 HD22 ' HB1' ' B' ' 124' ' ' ALA . 30.6 mt -94.73 -50.13 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 111.184 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.31 -30.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.581 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -67.73 162.19 24.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.649 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -144.26 55.05 3.1 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.284 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.753 ' CG ' HD21 ' A' ' 58' ' ' LEU . 50.8 Cg_endo -67.83 107.94 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.471 2.114 . . . . 0.0 111.846 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.0 p -52.48 171.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.286 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -56.69 16.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -31.52 68.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.7 tt0 -58.63 -63.84 1.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 53' ' ' PRO . 5.7 mt -60.35 -30.48 69.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.768 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -26.57 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.1 -29.87 58.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.8 mp -80.49 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.298 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.608 HD12 ' CG2' ' A' ' 39' ' ' THR . 40.5 mt -44.71 -47.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -53.62 -37.03 62.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.274 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -83.48 -33.31 25.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.909 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.624 HG22 ' HA ' ' A' ' 81' ' ' MET . 90.2 t -64.18 -37.35 79.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.244 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.78 112.71 24.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -98.6 26.37 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -148.11 21.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.96 51.49 45.48 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.54 -24.91 9.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 111.353 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 63.79 15.96 58.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.416 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.437 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 69.4 p -125.16 140.04 53.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.492 HG12 HG11 ' A' ' 65' ' ' VAL . 25.0 mt -95.37 115.34 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.338 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.7 -166.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 73.3 m-85 -57.51 -84.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.525 ' O ' HD12 ' A' ' 79' ' ' LEU . 4.3 pm0 -67.11 -14.24 62.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.621 0.248 . . . . 0.0 111.202 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.24 -21.13 31.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 0.1 OUTLIER -68.76 -8.8 46.46 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.224 179.691 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.819 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.1 mt -95.76 -46.81 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.035 0.445 . . . . 0.0 109.834 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.778 HG22 ' HB2' ' A' ' 10' ' ' ALA . 23.7 t -58.49 -35.77 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.624 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.4 ptm -48.93 -40.19 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.455 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.733 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.4 OUTLIER -92.81 -28.58 16.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.003 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 79' ' ' LEU . 99.2 t -60.15 -40.35 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HG3' HG12 ' A' ' 80' ' ' VAL . 1.8 mtt-85 -69.73 -22.51 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -105.13 12.92 31.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.427 ' CE ' HD21 ' A' ' 14' ' ' LEU . 4.8 mtt -113.56 -43.93 3.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.735 ' HD2' HG12 ' A' ' 83' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.733 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -79.05 -0.55 31.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -43.05 -29.2 0.33 Allowed 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.467 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.46 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.045 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.491 ' HE3' ' HB3' ' B' ' 121' ' ' MET . 1.8 tmm? -53.4 -39.01 63.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.145 0.498 . . . . 0.0 109.895 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 118' ' ' ALA . 9.0 mp -61.15 -37.16 81.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.932 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -90.75 11.19 23.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.641 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -84.89 -75.74 0.34 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.963 0.411 . . . . 0.0 111.843 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.599 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.9 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.937 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.679 0.276 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.465 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.08 -32.02 63.74 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.306 0.575 . . . . 0.0 110.378 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.45 -51.05 7.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.924 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.2 mm-40 -59.25 -40.53 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.913 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -44.22 -56.71 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.441 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.464 ' NH1' HD13 ' A' ' 19' ' ' ILE . 2.5 mtp85 -53.73 -26.04 21.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.91 -21.03 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CD2' HG11 ' A' ' 83' ' ' VAL . 2.8 m-85 -68.06 -28.33 67.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.819 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.82 169.64 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.55 161.48 20.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.601 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -50.44 -27.29 6.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 110.228 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -60.25 -60.22 4.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.805 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -24.13 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.219 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' NH1' ' A' ' 11' ' ' ARG . 78.9 mt -78.45 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.04 0.447 . . . . 0.0 110.634 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -24.21 13.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.356 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 1.8 mt-10 -89.0 -33.26 17.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.597 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -61.26 -33.08 72.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.652 178.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 13.8 tptt -70.4 -16.35 62.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -68.66 0.15 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.712 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -79.3 -0.67 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.163 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -45.15 -57.15 4.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.738 0.304 . . . . 0.0 111.655 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.83 -51.74 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.546 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 0.9 OUTLIER -57.25 -27.22 61.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CE1' HD22 ' A' ' 42' ' ' LEU . 3.1 m-85 -60.26 -75.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.86 119.0 6.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.25 -54.83 6.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 41' ' ' GLU . 54.8 mt -87.49 110.74 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -163.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.621 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -75.32 -35.93 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.958 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -80.01 -34.02 38.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.714 ' HB3' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -57.27 -38.21 73.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -69.09 -57.83 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.11 -27.62 15.38 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.745 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.79 -76.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.712 HG21 ' HB1' ' A' ' 25' ' ' ALA . 7.2 p -61.09 -25.8 37.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.524 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.85 -32.88 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.176 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -85.03 -26.81 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.699 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.607 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -94.1 10.06 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.969 HD22 ' HB1' ' B' ' 124' ' ' ALA . 15.1 mt -120.47 -42.41 2.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.667 0.27 . . . . 0.0 111.178 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.49 -40.54 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.665 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.76 162.19 24.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -144.26 48.74 0.92 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.453 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.835 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.5 Cg_endo -75.86 107.79 2.54 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.236 1.958 . . . . 0.0 112.022 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -59.9 -175.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.34 -34.06 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -78.34 -38.09 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.73 -49.42 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD21 ' HG2' ' A' ' 53' ' ' PRO . 1.4 mt -71.94 -24.08 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -29.17 68.15 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.741 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.54 -25.01 59.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.5 mp -88.35 -56.21 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.575 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.621 HD12 ' CG2' ' A' ' 39' ' ' THR . 31.0 mt -49.4 -41.62 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.951 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.45 -29.61 16.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -96.69 -33.48 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.185 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.62 HG22 ' CB ' ' A' ' 81' ' ' MET . 60.4 t -65.26 -47.19 88.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.667 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.554 ' OD2' HG22 ' A' ' 62' ' ' ILE . 7.1 m-20 -49.44 -45.91 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.04 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 8.4 pt-20 46.27 28.9 0.75 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -165.64 -46.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.98 57.23 0.42 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.32 -23.52 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 111.397 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.68 -12.81 64.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.431 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -115.61 174.78 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 47.7 mt -118.59 116.38 51.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.528 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -60.14 -169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -68.77 -82.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.99 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 7' ' ' GLN . 3.5 mt-10 -53.31 -24.04 10.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.6 mt-10 -54.37 -31.16 54.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 75' ' ' PHE . 16.4 m-85 -56.52 -18.67 12.37 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.094 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.2 mp -95.13 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.141 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 10' ' ' ALA . 62.2 t -65.47 -35.03 74.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.62 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.8 ptm -47.75 -39.58 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.405 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.684 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 1.7 mmm -93.11 -24.36 18.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.613 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 79' ' ' LEU . 68.0 t -68.86 -28.85 41.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 0.0 110.512 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -78.45 -16.84 57.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -107.19 -31.18 8.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.025 0.441 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.413 ' HE2' ' CE ' ' A' ' 82' ' ' MET . 6.8 mtt -67.52 -62.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.961 0.41 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.684 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -81.67 -1.07 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -45.93 -28.69 1.19 Allowed 'General case' 0 N--CA 1.46 0.043 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.001 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.1 -58.65 5.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.702 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.1 ttp -60.79 -33.18 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 22' ' ' PHE . 8.5 mp -68.99 -36.45 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.38 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -90.56 12.57 18.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.996 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.969 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -83.42 -75.18 0.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.63 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.607 HD11 HG23 ' A' ' 45' ' ' VAL . 6.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.621 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.484 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -71.43 -13.24 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.36 -51.65 5.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.99 -43.98 82.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.843 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.68 -59.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.654 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.603 ' HG3' HD13 ' A' ' 79' ' ' LEU . 4.1 mtp180 -51.92 -26.81 11.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.96 -22.68 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -24.72 66.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.5 HD13 ' HG2' ' A' ' 18' ' ' MET . 5.0 mt -112.63 173.39 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 111.004 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 163.28 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.646 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -50.02 -27.83 6.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.091 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.73 -56.99 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.5 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.58 -20.49 56.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.189 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -83.27 -64.46 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.898 0.38 . . . . 0.0 110.716 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.36 -25.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 18.8 mt-10 -89.8 -30.96 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.03 -33.17 72.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.89 179.14 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 15.7 tptm -77.54 -12.32 59.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.785 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.63 -78.74 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.694 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -70.31 -7.32 41.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.228 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.445 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 31.4 t80 -45.44 -28.9 0.97 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.704 0.287 . . . . 0.0 111.59 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.82 -60.0 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtt -59.0 -29.04 66.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.7 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.78 -71.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.06 119.08 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.156 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -47.01 6.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.892 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.891 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.792 0.33 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.496 HD13 ' CD1' ' A' ' 29' ' ' PHE . 82.1 mt -110.15 128.86 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.31 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 t -101.57 -163.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.7 HG22 HD12 ' A' ' 62' ' ' ILE . 18.1 p -73.37 -38.75 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -72.71 -30.74 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.085 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' CB ' HG23 ' A' ' 37' ' ' ILE . 1.8 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.7 HD22 ' HE1' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -77.43 -48.05 18.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.964 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -56.73 -16.27 16.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.827 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.643 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -74.3 -77.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.047 0.451 . . . . 0.0 111.36 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.694 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -60.04 -44.03 93.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.452 -178.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.437 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -61.14 -26.89 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.904 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 69.6 mtt180 -80.11 -42.84 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.504 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.613 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -82.83 5.66 20.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.04 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.998 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.9 mt -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.666 0.27 . . . . 0.0 111.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.57 -38.24 1.31 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.753 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.94 158.34 32.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.807 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 m120 -144.32 52.94 2.0 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.781 ' CG ' HD21 ' A' ' 58' ' ' LEU . 58.6 Cg_endo -71.2 109.42 2.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.564 2.176 . . . . 0.0 112.123 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.3 p -54.78 179.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -57.12 13.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.3 m -60.33 -29.3 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.729 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.47 -61.18 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.781 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.4 mt -67.53 -30.16 69.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.59 -26.59 65.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.09 53.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.735 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -81.94 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.7 HD12 HG22 ' A' ' 39' ' ' THR . 50.6 mt -44.28 -48.98 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -48.94 -29.25 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -92.31 -33.21 14.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.159 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.4 t -64.34 -46.78 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.74 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.23 -50.41 73.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.244 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.97 27.78 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.6 -45.2 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.72 53.9 0.44 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 p -117.42 -26.45 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.38 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.25 1.57 75.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.216 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 p -115.95 139.05 50.63 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.482 HG23 ' HB3' ' A' ' 77' ' ' GLU . 50.7 mt -99.51 123.16 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -167.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -66.72 -68.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.3 mt-10 -71.67 -20.62 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HB3' HG23 ' A' ' 73' ' ' ILE . 11.1 mt-10 -54.61 -23.81 18.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 t80 -71.4 -10.08 59.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.716 0.293 . . . . 0.0 110.963 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.603 HD13 ' HG3' ' A' ' 11' ' ' ARG . 1.3 mp -95.71 -44.52 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.843 HG22 ' HB2' ' A' ' 10' ' ' ALA . 24.1 t -60.75 -32.77 52.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.911 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.51 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.4 ptm -52.63 -40.16 62.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.325 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.737 ' HE1' HD11 ' B' ' 122' ' ' LEU . 5.4 ttm -84.8 -31.02 24.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 79' ' ' LEU . 88.5 t -59.17 -32.59 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -80.07 -11.09 59.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.011 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -106.92 -28.25 10.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.198 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.551 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 10.4 mtt -75.0 -54.07 7.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.586 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -76.22 -1.07 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.261 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 28.0 t70 -49.33 -25.53 2.5 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.48 -62.38 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.679 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.8 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.0 109.793 178.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.737 HD11 ' HE1' ' A' ' 82' ' ' MET . 9.0 mp -66.64 -42.4 86.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.169 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.41 16.14 9.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.998 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -82.07 -71.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 111.43 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.613 HD21 ' HE1' ' A' ' 48' ' ' MET . 7.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.37 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.582 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -70.29 -20.74 63.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.53 -49.53 6.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 27.6 mt-10 -54.0 -41.8 68.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.837 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.13 -59.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.49 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HA ' HD22 ' A' ' 79' ' ' LEU . 6.3 mtp180 -53.39 -28.4 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.38 -18.87 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.341 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -72.1 -10.0 59.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.36 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.516 HD21 ' SD ' ' A' ' 86' ' ' MET . 2.2 mt -132.34 172.18 12.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.35 161.13 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.91 -26.6 10.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.37 -56.24 24.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.638 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -55.25 -25.8 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.9 mt -74.82 -61.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.008 0.432 . . . . 0.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.23 2.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 1.0 OUTLIER -88.83 -30.51 18.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.82 179.208 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' HD23 ' A' ' 79' ' ' LEU . 1.1 m-85 -59.51 -37.03 77.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.935 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 21.7 tptt -78.27 -9.06 59.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.203 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.06 -71.54 0.07 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.791 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -84.55 -0.75 54.29 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -40.9 -31.84 0.19 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -76.79 -65.49 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.265 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.17 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.399 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -57.85 -60.2 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.224 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -60.79 -18.83 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.617 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.96 -68.5 0.09 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.275 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 p-10 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.614 HD13 ' CD1' ' A' ' 29' ' ' PHE . 54.6 mt -83.18 113.54 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.375 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -163.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.478 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.565 HG22 HD12 ' A' ' 62' ' ' ILE . 2.7 p -74.11 -24.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.163 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -35.68 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.354 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.64 -27.0 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.138 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.32 -60.69 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.152 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.42 -30.67 12.59 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.682 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.634 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -54.32 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.093 0.473 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.791 HG21 ' HB1' ' A' ' 25' ' ' ALA . 6.1 p -59.93 -29.84 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.014 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 mmt -74.56 -36.17 63.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.545 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -24.8 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.602 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.696 ' CE ' HD11 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -93.61 10.07 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.604 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.965 HD22 ' HB1' ' B' ' 124' ' ' ALA . 13.9 mt -121.5 -43.03 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.23 -36.66 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.96 158.4 32.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.358 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -144.09 55.46 3.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.758 ' HG2' HD21 ' A' ' 58' ' ' LEU . 48.1 Cg_endo -67.91 107.95 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.578 2.186 . . . . 0.0 111.945 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 p -57.56 -177.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -56.93 14.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.88 -31.24 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.665 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.3 tm-20 -59.37 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.852 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.758 HD21 ' HG2' ' A' ' 53' ' ' PRO . 10.1 mt -61.41 -40.89 96.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.665 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.95 -24.16 66.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -30.74 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.81 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.0 mp -82.83 -58.52 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.433 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.565 HD12 HG22 ' A' ' 39' ' ' THR . 37.6 mt -44.87 -42.45 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.385 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -33.22 26.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.669 HG22 ' HA ' ' A' ' 81' ' ' MET . 62.7 t -67.77 -45.39 84.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.683 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.9 127.28 32.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.25 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -117.46 26.95 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -149.54 22.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.16 49.96 47.93 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.625 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.56 -27.44 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.226 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.54 9.34 68.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.501 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -122.01 165.28 16.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 110.72 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 45.1 mt -115.96 121.89 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.596 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.28 -167.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -62.6 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.87 -23.26 63.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.927 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.8 mt-10 -54.19 -25.65 23.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.517 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 52.5 t80 -64.19 -15.01 59.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.5 mp -95.35 -38.67 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.837 HG22 ' HB2' ' A' ' 10' ' ' ALA . 21.5 t -65.48 -36.15 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.538 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.669 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.1 ptm -49.02 -40.18 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.152 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.777 ' SD ' ' HE2' ' A' ' 86' ' ' MET . 4.9 ttm -87.3 -34.15 18.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.565 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 79' ' ' LEU . 66.9 t -59.47 -34.1 53.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.578 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -18.23 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.182 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -109.11 -13.56 14.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.021 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.777 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.2 mtm -86.92 -40.58 14.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.475 ' HD3' HG12 ' A' ' 83' ' ' VAL . 6.2 mtpt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.99 0.424 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.705 ' HB3' ' HE1' ' A' ' 82' ' ' MET . . . -81.15 -1.29 43.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.692 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.517 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 26.6 t70 -43.96 -28.95 0.51 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.496 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.17 -70.35 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.757 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.0 ttp -54.57 -31.84 57.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.843 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.685 HD21 ' HE3' ' A' ' 82' ' ' MET . 11.1 mp -64.66 -37.37 87.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.164 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -90.33 7.68 37.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.965 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.53 -76.5 0.18 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.56 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.696 HD11 ' CE ' ' A' ' 48' ' ' MET . 7.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.706 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.7 0.286 . . . . 0.0 111.336 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.527 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -93.27 -15.24 26.04 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.143 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.48 -49.58 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 110.936 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.07 -41.51 92.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.201 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' CB ' HG21 ' A' ' 83' ' ' VAL . . . -46.01 -56.64 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.659 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -53.16 -26.74 18.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.3 -21.67 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CD1' ' HD3' ' A' ' 87' ' ' LYS . 2.2 m-85 -71.82 -24.11 61.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -112.46 161.86 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.14 160.19 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -49.95 -27.55 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.66 -54.88 36.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.71 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -20.36 54.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.662 HG12 HD21 ' A' ' 79' ' ' LEU . 67.9 mt -84.74 -64.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.28 -26.35 2.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.24 -32.43 22.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -60.94 -34.23 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 4.4 tppt? -75.38 -14.79 60.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.807 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.81 -73.22 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.095 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.714 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -71.47 -4.11 24.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.279 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.44 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 4.8 t80 -47.73 -30.32 3.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -73.12 -66.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.533 ' SD ' HD13 ' B' ' 125' ' ' LEU . 1.9 mpt? -59.09 -27.68 65.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.678 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 1.5 m-85 -56.15 -69.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.81 120.21 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.094 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.11 -47.97 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.768 179.799 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 49.3 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.528 HD13 ' CG ' ' A' ' 29' ' ' PHE . 62.5 mt -86.63 124.98 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.255 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 p -95.43 -163.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.522 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -70.61 -55.54 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -34.2 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.475 ' HB3' HG23 ' A' ' 37' ' ' ILE . 22.2 mt-10 -57.76 -29.03 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.63 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.146 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.39 -28.32 4.6 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.82 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -56.69 -78.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.714 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -62.11 -27.47 42.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.811 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.5 mmt -74.33 -29.28 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.401 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -88.79 -26.71 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.561 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.601 ' HE2' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -93.37 10.15 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.635 0.255 . . . . 0.0 111.476 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.755 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.0 mt -119.88 -41.28 2.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.678 0.275 . . . . 0.0 111.062 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.88 -35.4 0.3 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.7 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 161.19 26.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -144.22 51.21 1.44 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' CG ' HD21 ' A' ' 58' ' ' LEU . 68.8 Cg_endo -73.72 107.88 2.51 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.562 2.175 . . . . 0.0 112.167 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.1 p -56.45 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.015 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -57.17 -54.79 42.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.45 -30.35 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.568 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -59.13 -54.84 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.86 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.737 HD21 ' CG ' ' A' ' 53' ' ' PRO . 5.4 mt -74.18 -34.94 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.63 -24.97 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.8 -31.55 45.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 57' ' ' GLU . 1.7 mp -82.04 -56.64 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.529 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.5 mt -46.23 -45.87 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.958 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -54.69 -24.23 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -95.71 -34.59 11.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.564 HG21 HG12 ' A' ' 73' ' ' ILE . 1.2 m -69.17 -31.79 51.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.644 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.29 110.75 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -26.74 38.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.52 15.94 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.25 58.07 8.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.657 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.81 -22.43 11.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.662 0.268 . . . . 0.0 111.302 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.05 -1.13 87.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.44 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 3.5 p -109.83 157.76 18.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.327 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.564 HG12 HG21 ' A' ' 65' ' ' VAL . 76.3 mt -112.6 120.84 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.499 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -169.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -62.14 -70.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 79' ' ' LEU . 15.8 mt-10 -67.37 -28.59 68.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.082 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.6 mt-10 -53.99 -33.57 57.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.267 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 12.3 t80 -62.34 -15.41 48.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.926 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.971 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 mp -92.98 -42.69 9.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 6' ' ' GLN . 15.6 t -62.53 -39.9 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.735 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.611 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -46.9 -41.14 15.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.378 179.806 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.675 ' SD ' ' HE2' ' A' ' 86' ' ' MET . 4.1 ttm -87.58 -32.24 19.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.613 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 79' ' ' LEU . 65.7 t -61.31 -34.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.8 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -17.05 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.311 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -108.54 -21.84 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.675 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 7.3 mtm -78.27 -55.12 5.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.989 0.423 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.553 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -77.48 -1.05 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.335 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 7.9 t0 -46.24 -28.33 1.24 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.696 0.284 . . . . 0.0 111.275 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.2 0.61 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.701 ' HG3' HD12 ' A' ' 49' ' ' LEU . 1.7 ttp -56.65 -34.18 67.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 109.762 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.673 ' CD1' ' HE1' ' A' ' 82' ' ' MET . 8.6 mp -64.16 -38.84 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.1 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -90.22 -6.34 55.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.755 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -57.49 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.988 0.423 . . . . 0.0 111.725 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 45' ' ' VAL . 5.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.323 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 CA--C 1.528 0.117 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.512 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -72.56 -14.58 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.089 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.14 -48.97 6.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 4.3 mt-10 -57.12 -40.65 77.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.186 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.805 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -44.44 -54.13 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.298 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.709 ' HA ' HD22 ' A' ' 79' ' ' LEU . 1.9 ttt180 -54.6 -27.1 36.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.754 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.87 -19.91 19.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.239 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m-85 -70.35 -12.07 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.29 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 7.3 mt -126.55 162.9 24.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.82 153.83 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.663 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.77 -28.09 5.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.189 0.518 . . . . 0.0 110.027 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.35 -48.73 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.479 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.465 ' HE3' ' HE1' ' A' ' 82' ' ' MET . 0.2 OUTLIER -65.86 -16.16 63.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.33 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.572 HD11 ' O ' ' A' ' 11' ' ' ARG . 64.7 mt -84.54 -63.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -24.62 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.35 -33.19 19.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.248 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.02 -33.3 74.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.47 -12.66 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.617 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.83 -78.28 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.848 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -73.09 -5.88 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 14.1 t80 -46.57 -28.96 1.59 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.695 0.284 . . . . 0.0 111.521 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -61.07 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mtt -59.11 -26.69 64.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.863 ' CE2' HG11 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -56.84 -73.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.26 119.53 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 -51.83 5.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.866 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 33.5 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.632 HD13 ' CD1' ' A' ' 29' ' ' PHE . 80.4 mt -98.13 127.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -119.18 -164.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.586 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.951 HG23 HD12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -65.06 -24.93 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -84.76 -39.21 18.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.319 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.484 ' HB2' HG23 ' A' ' 37' ' ' ILE . 8.5 mt-10 -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.459 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.762 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -82.9 -61.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 111.086 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.99 5.52 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.04 -76.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.98 0.419 . . . . 0.0 111.063 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.863 HG11 ' CE2' ' A' ' 29' ' ' PHE . 8.2 p -64.35 -24.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.771 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG3' HD12 ' A' ' 42' ' ' LEU . 2.3 mmt -76.7 -32.43 57.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.4 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -85.43 -28.12 25.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -92.48 10.17 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.593 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.992 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.8 mt -119.72 -41.08 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -33.7 0.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.375 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.02 159.76 30.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 55.0 t-20 -144.14 51.74 1.63 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.505 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.711 ' CG ' HD21 ' A' ' 58' ' ' LEU . 71.6 Cg_endo -74.15 107.9 2.54 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.54 2.16 . . . . 0.0 112.077 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -59.01 -177.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -57.06 -53.29 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.786 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.17 -32.07 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -60.49 3.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.842 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.711 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.6 mt -67.52 -31.08 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.73 -27.09 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.89 59.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.6 mp -80.07 -59.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.38 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.951 HD12 HG23 ' A' ' 39' ' ' THR . 20.2 mt -45.2 -47.51 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.366 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -34.87 24.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.028 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 81' ' ' MET . 88.4 t -65.82 -47.09 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.06 97.89 7.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.228 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -76.11 -25.48 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.749 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -85.11 -29.81 24.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.79 49.78 1.74 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.287 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.41 -21.68 12.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.36 5.4 72.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.435 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 78.8 p -119.2 141.8 48.56 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.896 0.379 . . . . 0.0 110.807 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 36.0 mt -98.65 119.02 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.393 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.38 -168.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.34 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.8 mp0 -62.93 -29.23 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.036 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 81' ' ' MET . 9.4 mt-10 -50.87 -26.07 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.306 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.492 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 4.6 t80 -64.32 -13.6 51.16 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.938 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.0 mp -95.38 -44.97 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 10' ' ' ALA . 24.6 t -61.26 -35.9 69.2 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.74 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.598 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.4 ptm -47.54 -40.32 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.339 0.59 . . . . 0.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.841 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.9 OUTLIER -93.31 -32.52 14.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.326 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 79' ' ' LEU . 61.7 t -57.13 -31.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.861 0.362 . . . . 0.0 110.539 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.425 ' HG3' HG12 ' A' ' 80' ' ' VAL . 2.9 mtt-85 -77.85 -26.48 49.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -103.08 13.04 35.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' A' ' 82' ' ' MET . 4.2 mtm -116.1 -45.32 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.485 ' HD3' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 117' ' ' SER . . . . . 0.529 ' C ' ' H ' ' B' ' 119' ' ' ASP . 77.7 p . . . . . 0 CA--C 1.527 0.091 0 N-CA-C 110.736 -0.098 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.841 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . 68.44 -26.0 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' B' ' 117' ' ' SER . 34.2 t0 -47.45 -30.01 3.09 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 121.043 0.449 . . . . 0.0 110.394 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.34 55.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.655 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.1 ttp -64.51 -34.27 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 22' ' ' PHE . 8.8 mp -65.28 -39.91 93.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.027 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -90.39 11.72 20.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.178 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.992 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -76.77 -74.44 0.24 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 111.334 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.707 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.578 ' HG3' HG21 ' A' ' 80' ' ' VAL . 19.6 pt20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.529 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 15.7 mp0 -78.78 -20.31 50.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.066 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.14 -50.06 8.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' PHE . 5.2 mm-40 -56.21 -39.02 71.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 109.995 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.64 -58.33 2.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.468 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.505 ' O ' HD11 ' A' ' 19' ' ' ILE . 6.6 mtp85 -53.04 -25.43 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.23 -19.34 18.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -78.14 -24.79 47.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD21 ' CE ' ' A' ' 86' ' ' MET . 17.7 mt -106.65 162.18 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.58 161.94 25.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.599 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -50.15 -27.65 6.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.064 0.459 . . . . 0.0 110.113 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.23 -55.47 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.406 ' CE ' ' HB2' ' B' ' 119' ' ' ASP . 0.0 OUTLIER -60.3 -20.07 57.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.078 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 11' ' ' ARG . 57.7 mt -86.24 -64.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.817 0.341 . . . . 0.0 110.755 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.69 -26.22 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 0.0 110.978 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 25.0 mt-10 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.051 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' HA ' ' HG ' ' B' ' 122' ' ' LEU . 0.0 OUTLIER -60.02 -34.82 73.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.825 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -73.27 -17.19 61.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.774 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.13 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.649 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -74.05 -2.63 25.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 16.9 t80 -51.28 -26.56 7.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 111.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -84.69 -61.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -26.4 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' HD13 ' A' ' 37' ' ' ILE . 2.3 m-85 -55.85 -67.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.09 120.05 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.05 -47.54 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.911 179.818 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 36.5 m-20 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' CG ' ' A' ' 29' ' ' PHE . 55.8 mt -83.16 116.26 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.0 p -98.03 -164.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' HD12 ' A' ' 62' ' ' ILE . 19.2 p -67.66 -29.15 68.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -81.98 -43.71 17.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.057 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.76 -22.72 37.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.625 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.22 -58.71 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.196 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.28 -26.31 9.3 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.656 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.663 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.66 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.689 HG23 ' CE ' ' A' ' 48' ' ' MET . 7.2 p -62.23 -28.28 44.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.749 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.401 ' HG3' HD12 ' A' ' 42' ' ' LEU . 1.8 mmt -72.87 -30.71 64.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.3 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -86.2 -30.1 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.689 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -90.26 10.1 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.439 -179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.043 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.8 mt -119.32 -38.97 2.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.747 0.308 . . . . 0.0 110.997 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.11 -35.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.647 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.98 160.28 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 10.2 t30 -144.12 51.6 1.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.623 ' CG ' HD21 ' A' ' 58' ' ' LEU . 58.9 Cg_endo -71.37 112.66 3.39 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.524 2.149 . . . . 0.0 112.104 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 p -56.12 174.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -48.91 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.28 -36.56 80.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 61' ' ' ILE . 3.2 tt0 -58.08 -60.15 4.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 42' ' ' LEU . 5.4 mt -65.32 -31.79 73.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.81 -25.12 61.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.03 54.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.712 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.0 mp -79.73 -60.34 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.308 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.508 HG21 ' O ' ' A' ' 71' ' ' GLY . 43.0 mt -45.53 -43.49 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.125 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.014 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.5 t -57.41 -33.71 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.393 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -85.8 -35.9 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 81' ' ' MET . 59.5 t -65.49 -50.04 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.529 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.14 110.68 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -100.97 30.62 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.23 -45.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.95 42.75 0.51 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.236 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -24.72 10.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.719 0.295 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 62' ' ' ILE . . . 72.34 9.88 73.66 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.201 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 10.1 p -120.06 168.44 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 77' ' ' GLU . 41.7 mt -119.65 120.44 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.916 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -165.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -62.67 -73.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' ' 79' ' ' LEU . 2.3 pm0 -71.09 -22.4 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 73' ' ' ILE . 3.8 mt-10 -52.52 -27.03 14.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.528 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 30.8 t80 -70.57 -11.09 60.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.139 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 76' ' ' GLU . 1.2 mp -94.85 -44.01 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.145 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.578 HG21 ' HG3' ' A' ' 6' ' ' GLN . 5.5 p -64.67 -32.56 58.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.056 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.548 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.1 ptm -50.87 -41.82 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.284 0.564 . . . . 0.0 110.504 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.847 ' CE ' HD21 ' B' ' 122' ' ' LEU . 3.4 ttm -76.85 -37.47 55.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.65 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.532 HG13 ' CD ' ' A' ' 87' ' ' LYS . 56.7 t -56.97 -34.36 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -15.57 61.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.191 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -109.4 -27.02 9.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.603 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 8.6 mtm -72.73 -54.56 8.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.532 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 117' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 119' ' ' ASP . 63.0 m . . . . . 0 CA--C 1.526 0.058 0 N-CA-C 110.724 -0.102 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.82 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . 69.09 -40.27 0.45 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 111.449 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.697 ' HA ' HD22 ' B' ' 122' ' ' LEU . 9.0 t70 -40.74 -30.0 0.11 Allowed 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.747 0.308 . . . . 0.0 111.561 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.96 1.96 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.37 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.759 ' HG3' HD12 ' A' ' 49' ' ' LEU . 8.9 ttp -60.45 -30.54 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.847 HD21 ' CE ' ' A' ' 82' ' ' MET . 5.4 mp -64.09 -42.31 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.757 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.23 12.89 16.69 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.043 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.21 -71.87 0.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.542 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 45' ' ' VAL . 8.4 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.69 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.34 -23.68 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.58 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.678 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' PHE . 10.3 mt-10 -57.08 -42.46 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.932 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -43.3 -59.73 1.98 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -26.53 22.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.758 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.7 -19.18 20.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.231 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -79.85 -38.79 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.006 -179.62 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.7 OUTLIER -89.23 156.74 18.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.47 154.83 36.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -28.38 5.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 0.0 110.284 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -47.14 86.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.553 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.683 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.46 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -71.24 -60.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.28 -28.01 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.018 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.96 -31.91 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.918 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.761 ' CD2' HD23 ' A' ' 79' ' ' LEU . 1.4 m-85 -58.42 -34.93 71.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.144 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tmtt? -79.45 -12.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.302 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.05 -72.2 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.882 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -77.26 -1.81 31.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.16 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 17.0 t80 -51.03 -26.58 6.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.743 0.306 . . . . 0.0 111.33 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -85.08 -44.8 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.012 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -68.8 -30.22 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.982 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.627 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 25.3 m-85 -59.08 -75.63 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -55.27 119.41 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.336 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.54 -46.83 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.735 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.817 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 12.8 m-20 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' CG ' ' A' ' 29' ' ' PHE . 19.3 mt -91.78 130.14 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.414 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -105.78 -164.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.63 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.793 HG22 HD12 ' A' ' 62' ' ' ILE . 11.5 p -71.16 -40.29 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.091 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -72.59 -38.57 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.36 -24.98 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.307 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 46' ' ' MET . 0.3 OUTLIER -80.28 -59.69 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.297 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.01 14.66 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.649 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.662 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.21 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.882 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.5 p -62.07 -27.29 42.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.786 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.491 ' HE1' ' HG2' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -76.66 -31.67 57.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.44 -179.428 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -87.08 -27.53 23.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.257 . . . . 0.0 111.325 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.592 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -92.47 10.1 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.472 -179.769 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.086 HD22 ' HB1' ' B' ' 124' ' ' ALA . 18.8 mt -119.49 -40.92 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.92 -36.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.596 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.491 ' HG2' ' HE1' ' A' ' 46' ' ' MET . 1.1 tp-100 -67.99 160.8 27.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -144.22 58.65 6.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.75 ' CG ' HD21 ' A' ' 58' ' ' LEU . 73.5 Cg_endo -74.29 107.99 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.587 2.192 . . . . 0.0 112.168 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -56.15 179.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -43.28 82.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.6 m -72.63 -30.4 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -57.2 -59.23 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.5 mt -69.23 -31.98 70.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -21.84 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -31.81 26.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.8 mp -82.35 -58.16 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.488 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.793 HD12 HG22 ' A' ' 39' ' ' THR . 46.5 mt -45.3 -44.47 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.182 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -39.85 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.314 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -33.29 57.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.259 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 ' CB ' ' A' ' 81' ' ' MET . 72.4 t -67.02 -55.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.37 119.32 12.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.942 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.15 28.76 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -155.92 26.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.64 54.92 10.12 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.696 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 p -116.72 -25.42 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 111.473 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.51 11.12 61.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.122 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 25.2 p -111.86 140.23 46.68 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 28.6 mt -105.84 96.58 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.428 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -52.59 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -51.71 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 7' ' ' GLN . 33.2 mp0 -61.21 -27.95 68.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.4 mt-10 -52.87 -23.81 7.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.637 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 55.3 t80 -72.61 -14.79 61.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.257 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.761 HD23 ' CD2' ' A' ' 22' ' ' PHE . 3.1 mp -95.46 -48.32 5.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 77' ' ' GLU . 8.8 p -58.67 -35.12 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.876 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.8 ptm -48.13 -41.49 26.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.787 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.0 OUTLIER -85.21 -32.96 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.89 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.852 HG13 ' CE ' ' A' ' 87' ' ' LYS . 65.4 t -57.21 -30.65 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.402 ' NH1' ' HA ' ' A' ' 65' ' ' VAL . 12.9 mtt85 -83.05 -20.79 34.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.061 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 81' ' ' MET . 7.3 mm-40 -112.96 1.41 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.586 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 1.6 ptp -116.56 -26.43 7.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.034 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.852 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.785 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.03 0.443 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.787 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -82.77 0.57 43.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.461 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 30.0 t70 -46.38 -28.6 1.39 Allowed 'General case' 0 C--O 1.23 0.067 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.79 -70.16 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.738 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.6 OUTLIER -54.71 -33.1 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.067 0.46 . . . . 0.0 109.897 179.333 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.738 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.6 mp -65.59 -35.49 80.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.177 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -6.6 54.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 1.086 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -58.29 -71.54 0.11 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 111.67 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.592 HD21 ' HE1' ' A' ' 48' ' ' MET . 9.0 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.444 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.707 ' CG ' HG21 ' A' ' 80' ' ' VAL . 3.4 pt20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.838 0.351 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -64.01 -33.42 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.72 -53.14 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.916 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.9 mm-40 -53.6 -39.86 65.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -42.76 -61.35 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' CG ' HD22 ' A' ' 79' ' ' LEU . 10.8 mtp180 -52.27 -26.2 11.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.55 -19.37 20.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.275 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -76.17 -13.4 60.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.241 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -129.19 172.07 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.12 162.3 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.672 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -27.38 5.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.058 0.456 . . . . 0.0 110.123 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.72 -60.63 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.71 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.856 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -55.18 -23.29 21.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 50.1 mt -73.87 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.09 -27.35 3.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 1.1 mm-40 -78.38 -33.36 48.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.649 ' HE2' HD13 ' A' ' 14' ' ' LEU . 19.4 m-85 -62.91 -47.35 83.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.48 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -67.56 -15.56 63.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.976 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -47.95 -71.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.087 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -80.93 -0.81 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 28.0 t80 -55.6 -30.47 60.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.756 0.312 . . . . 0.0 111.208 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.73 -49.95 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 tpp -68.06 -27.61 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CE1' HG11 ' A' ' 45' ' ' VAL . 2.9 m-85 -57.11 -67.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -57.89 118.3 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.55 6.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.985 179.866 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.428 HD11 ' CG ' ' A' ' 29' ' ' PHE . 57.9 mt -112.95 115.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -104.18 -164.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.655 HG22 HD12 ' A' ' 62' ' ' ILE . 67.2 p -67.11 -20.18 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.258 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -28.87 17.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.311 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.47 -25.16 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.368 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.18 -50.57 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.181 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.71 -21.24 35.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.705 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.63 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.8 m -62.47 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.698 HG23 ' CE ' ' A' ' 48' ' ' MET . 2.7 p -54.94 -37.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.91 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.474 ' HE1' ' HE2' ' B' ' 121' ' ' MET . 2.6 mmt -65.43 -23.76 67.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.513 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.12 -36.17 18.25 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.698 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -80.59 -20.38 43.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 111.336 -179.574 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.624 ' CD1' HG22 ' A' ' 45' ' ' VAL . 77.6 mt -82.86 -47.49 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.8 -23.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.509 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.81 160.85 27.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.701 0.286 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -144.17 54.34 2.76 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.75 ' CG ' HD21 ' A' ' 58' ' ' LEU . 52.6 Cg_endo -68.51 107.68 1.67 Allowed 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.513 2.142 . . . . 0.0 111.866 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -55.25 173.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.642 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' H ' HG22 ' A' ' 54' ' ' THR . 19.3 tptm -55.54 -45.39 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -32.04 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.652 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -62.29 -66.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 53' ' ' PRO . 12.1 mt -61.44 -33.8 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.06 -24.36 62.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.05 -32.68 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.792 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -79.35 -61.56 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.3 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.655 HD12 HG22 ' A' ' 39' ' ' THR . 51.8 mt -43.84 -35.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.388 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.4 -45.05 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.422 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.39 -37.66 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.397 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.632 HG11 ' HB3' ' A' ' 81' ' ' MET . 78.6 t -66.36 -63.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.717 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.89 118.02 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.13 26.69 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' CG ' ' HG ' ' A' ' 70' ' ' SER . 12.9 p-10 -148.6 21.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.2 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.84 37.66 15.36 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.801 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.406 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 1.5 p -92.22 -29.27 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.099 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.81 8.66 73.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.535 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.0 p -118.22 132.89 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 77' ' ' GLU . 59.1 mt -93.8 116.92 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.57 -165.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -78.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 79' ' ' LEU . 28.4 mm-40 -62.86 -23.67 67.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.042 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HB3' HG23 ' A' ' 73' ' ' ILE . 3.0 mt-10 -51.43 -28.82 13.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.616 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 32.7 t80 -66.29 -18.92 65.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.763 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.4 mp -90.68 -35.65 14.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.707 HG21 ' CG ' ' A' ' 6' ' ' GLN . 5.1 p -76.63 -34.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.207 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.632 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.3 ptm -50.3 -39.21 44.9 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.777 0.799 . . . . 0.0 110.12 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.942 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 4.3 mmm -76.16 -41.6 49.32 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 79' ' ' LEU . 41.7 t -58.29 -31.15 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -6.95 53.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.344 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 81' ' ' MET . 2.1 mt-30 -116.12 -22.67 8.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.703 0.287 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.534 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 11.8 mtt -79.62 -40.91 28.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.007 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.476 ' HD3' HG12 ' A' ' 83' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.048 0.452 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.942 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -76.44 0.6 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.337 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.454 ' HA ' HD22 ' B' ' 122' ' ' LEU . 25.7 t70 -46.29 -26.21 0.77 Allowed 'General case' 0 CA--C 1.527 0.068 0 CA-C-O 120.693 0.282 . . . . 0.0 111.415 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.42 -72.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.551 ' HA ' HD13 ' A' ' 49' ' ' LEU . 11.9 ttp -50.78 -41.34 56.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.204 0.526 . . . . 0.0 109.842 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.461 HD23 ' CE1' ' A' ' 22' ' ' PHE . 1.4 mp -59.88 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.085 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 123' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' B' ' 119' ' ' ASP . 8.3 ttt180 -90.55 -21.74 21.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.542 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -52.4 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.999 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' A' ' 25' ' ' ALA . 9.3 mt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.886 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.815 0.341 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.466 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -58.61 -28.85 66.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.467 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.11 -53.89 6.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.176 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.6 mt-10 -58.86 -42.96 90.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.967 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -45.29 -56.45 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.169 179.39 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.659 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -55.17 -24.44 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.845 179.566 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.26 -16.24 20.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.465 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 87' ' ' LYS . 82.7 t80 -69.24 -27.29 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 0.0 111.232 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.88 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -113.37 174.08 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 111.028 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.65 161.51 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.71 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.03 -28.1 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.122 0.487 . . . . 0.0 110.164 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.16 -46.9 88.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.583 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.88 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.39 -18.28 60.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 11' ' ' ARG . 46.3 mt -81.98 -65.01 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.329 . . . . 0.0 110.776 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.98 -27.21 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.073 0.463 . . . . 0.0 110.816 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -86.51 -31.15 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.952 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.659 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.72 -36.12 78.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.29 179.246 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -80.52 -8.44 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.119 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.17 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.774 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -74.63 -0.93 19.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.12 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 75' ' ' PHE . 3.8 t80 -47.73 -27.99 2.25 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.741 0.305 . . . . 0.0 111.609 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.57 -49.87 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.302 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.247 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CE1' HG11 ' A' ' 45' ' ' VAL . 14.8 m-85 -57.3 -74.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.139 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -50.45 119.58 3.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.5 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -48.94 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.794 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.814 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 39.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.915 0.388 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.62 HD13 ' CG ' ' A' ' 29' ' ' PHE . 36.6 mt -87.67 131.26 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.173 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -110.06 -164.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.731 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.947 HG22 HD12 ' A' ' 62' ' ' ILE . 74.7 p -68.96 -48.77 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -63.51 -30.67 71.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.92 -25.12 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.193 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -80.75 -56.13 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.288 -179.585 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.82 -30.77 22.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.667 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.61 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.774 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -60.24 -30.57 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.027 -179.144 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.583 ' HE1' ' HG2' ' A' ' 51' ' ' GLN . 1.1 mtp -73.54 -34.52 65.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.6 -179.098 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mtp-105 -82.97 -26.7 31.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.593 0.235 . . . . 0.0 111.58 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.713 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -94.05 10.15 34.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.688 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.751 HD12 ' HG3' ' B' ' 121' ' ' MET . 15.0 mt -121.11 -42.6 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.678 0.275 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.47 -42.54 0.2 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.918 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.583 ' HG2' ' HE1' ' A' ' 46' ' ' MET . 25.3 mp0 -67.83 162.2 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.746 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 3.9 m120 -144.33 52.54 1.86 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.729 ' HG2' HD21 ' A' ' 58' ' ' LEU . 80.1 Cg_endo -76.72 107.91 2.55 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.503 2.136 . . . . 0.0 112.153 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -176.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -53.15 60.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 23.0 t -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -60.75 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.729 HD21 ' HG2' ' A' ' 53' ' ' PRO . 8.6 mt -65.27 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.02 -25.97 68.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.44 -30.36 53.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.688 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -82.98 -59.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.344 179.368 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.947 HD12 HG22 ' A' ' 39' ' ' THR . 30.1 mt -43.9 -42.87 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.112 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.2 t -57.57 -47.98 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -32.81 65.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.953 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' CB ' ' A' ' 81' ' ' MET . 53.1 t -63.32 -51.8 66.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.344 179.312 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.75 118.34 17.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -90.05 -24.14 21.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -100.18 19.89 15.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.9 58.84 7.29 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.688 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 p -113.95 -23.9 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.666 0.269 . . . . 0.0 111.358 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.21 1.82 76.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.385 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 7.7 p -113.23 150.56 32.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 51.1 mt -107.38 120.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.504 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -170.82 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -62.1 -74.79 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 79' ' ' LEU . 22.8 mt-10 -66.76 -25.42 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 81' ' ' MET . 2.8 mt-10 -52.5 -26.14 12.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 18.6 t80 -63.71 -15.13 57.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.113 179.714 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 mp -95.32 -43.75 7.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.964 0.411 . . . . 0.0 109.942 178.919 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.967 HG22 ' HB2' ' A' ' 10' ' ' ALA . 54.8 t -62.93 -34.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.648 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.63 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.7 ptm -49.89 -41.37 45.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.572 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.495 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.0 OUTLIER -91.55 -28.33 17.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.158 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 79' ' ' LEU . 90.4 t -59.65 -42.6 88.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.954 0.407 . . . . 0.0 110.279 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -65.04 -26.13 68.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.723 179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -102.97 13.01 35.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' MET . . . . . 0.544 ' CE ' HD21 ' A' ' 14' ' ' LEU . 4.4 mtm -116.17 -37.88 3.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 117' ' ' SER . . . . . 0.505 ' C ' ' H ' ' B' ' 119' ' ' ASP . 71.1 m . . . . . 0 CA--C 1.528 0.119 0 N-CA-C 110.521 -0.177 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 118' ' ' ALA . . . . . 0.556 ' O ' HD13 ' B' ' 122' ' ' LEU . . . 70.75 -23.48 0.17 Allowed 'General case' 0 C--N 1.333 -0.148 0 O-C-N 122.405 -0.185 . . . . 0.0 111.258 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 119' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' B' ' 117' ' ' SER . 11.0 t70 -46.19 -31.04 2.21 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.051 0.453 . . . . 0.0 110.101 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.3 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.109 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 121' ' ' MET . . . . . 0.765 ' CE ' HD12 ' B' ' 122' ' ' LEU . 5.9 ttp -60.08 -39.38 85.87 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 122' ' ' LEU . . . . . 0.765 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.4 mp -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.835 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -90.66 11.47 22.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.426 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 124' ' ' ALA . . . . . 0.72 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -76.85 -79.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.92 0.39 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.713 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.39 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.822 0.344 . . . . 4.06 111.067 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -126.92 142.16 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 3.35 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mtm -139.34 -47.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 3.18 110.945 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 t -161.86 117.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 1.34 110.888 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -96.61 25.23 5.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 2.4 111.068 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.47 -30.83 66.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 1.62 110.786 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -68.27 -29.04 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 2.07 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.7 -51.02 15.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.8 111.058 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.37 -28.92 67.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 1.72 110.831 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.94 69.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.61 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG3' HD13 ' A' ' 79' ' ' LEU . 4.7 mtp180 -59.09 -30.28 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 2.07 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.85 23.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.86 111.163 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.18 -30.87 69.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 2.18 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.55 151.14 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.85 110.841 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 164.44 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.6 110.85 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.15 -30.1 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 2.67 110.802 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -38.47 83.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 2.48 110.848 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -45.07 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.86 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 22' ' ' PHE . 38.2 mt -56.44 -46.79 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.86 111.156 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.71 -60.28 3.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.83 -26.22 68.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 2.01 110.501 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -55.8 -35.01 65.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.996 -0.547 . . . . 3.68 110.895 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -82.28 2.43 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.986 -0.552 . . . . 2.98 111.418 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -58.1 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.831 0.348 . . . . 0.93 111.528 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.717 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -78.6 -1.72 35.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.8 111.95 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 20.3 t80 -52.03 -27.53 14.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.308 . . . . 1.75 111.14 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.98 -54.7 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 2.19 110.842 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 1.31 110.975 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.744 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -55.45 -70.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 1.48 111.069 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -58.03 118.02 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 1.08 110.947 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.38 -53.34 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.1 111.11 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -76.29 -30.59 57.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.21 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.25 36.33 45.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 1.73 112.558 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.87 31.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 1.94 112.477 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.91 -102.73 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 2.08 112.478 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -166.42 -175.94 3.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 1.32 110.761 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.744 HD13 ' CD1' ' A' ' 29' ' ' PHE . 42.2 mt -95.88 130.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.078 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -115.01 -166.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.49 110.712 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.582 ' CG2' HD12 ' A' ' 62' ' ' ILE . 3.6 p -68.3 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.65 110.959 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -47.42 23.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 3.35 110.988 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.28 -29.47 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.53 111.064 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.735 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -70.07 -60.74 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.42 111.093 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.7 -23.84 23.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.811 -0.709 . . . . 0.52 112.779 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.2 m -59.57 -76.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.334 . . . . 0.61 111.001 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.717 HG21 ' CB ' ' A' ' 25' ' ' ALA . 9.5 p -61.21 -24.28 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.62 111.486 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mmt -76.99 -29.44 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 1.15 111.153 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -88.72 -27.47 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.34 . . . . 2.38 111.156 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.526 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -97.79 35.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.85 111.05 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.837 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.8 mt -146.39 -47.98 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.94 110.908 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.62 -42.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.88 112.506 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.17 166.08 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 1.94 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 7.8 t30 -149.7 53.15 1.23 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 2.19 111.007 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' CG ' HD21 ' A' ' 58' ' ' LEU . 63.9 Cg_endo -73.6 107.8 2.48 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.508 2.139 . . . . 0.51 112.2 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -178.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 1.44 111.058 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 2.21 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.48 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 1.6 110.909 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.651 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -60.09 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 2.15 110.921 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 42' ' ' LEU . 13.1 mt -59.19 -38.0 78.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.4 110.935 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.57 -30.87 68.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 1.78 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.3 78.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.59 111.059 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 57' ' ' GLU . 5.3 mp -70.25 -60.48 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.55 110.975 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.582 HD12 ' CG2' ' A' ' 39' ' ' THR . 42.9 mt -47.0 -37.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.318 -0.401 . . . . 0.44 111.362 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.4 t -59.16 -31.28 68.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.81 110.841 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -87.81 -32.41 19.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 1.99 110.728 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 81' ' ' MET . 27.7 t -63.4 -60.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.77 111.039 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.28 102.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 1.16 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.89 -30.08 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 3.3 111.049 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -82.46 -30.99 29.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 1.33 110.993 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.8 53.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.82 112.388 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 -23.09 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.65 111.208 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.75 15.15 81.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.671 -0.776 . . . . 0.56 112.567 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.2 p -125.5 140.79 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.816 0.341 . . . . 0.72 110.776 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.6 mt -99.33 121.43 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.52 111.297 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.93 -169.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.74 110.875 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.23 -75.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 2.31 110.889 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 79' ' ' LEU . 4.7 mt-10 -66.55 -25.27 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.408 . . . . 2.25 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.02 -23.59 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 1.23 111.144 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 37' ' ' ILE . 34.1 t80 -70.67 -15.72 62.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 2.4 111.209 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.2 mt -91.81 -37.48 12.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.65 111.203 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.96 -26.53 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.14 111.599 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.417 ' CB ' HG22 ' A' ' 65' ' ' VAL . 4.3 ptm -58.01 -35.71 71.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.49 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.671 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.1 OUTLIER -84.73 -30.94 24.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 1.19 110.62 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 79' ' ' LEU . 30.2 t -66.51 -31.29 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.59 110.921 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -73.68 -8.71 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 2.15 111.254 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -115.73 -30.49 6.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.796 0.331 . . . . 2.19 111.111 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.554 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 10.9 mtt -63.06 -75.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.86 111.2 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD2' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.84 -29.56 70.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 3.37 111.128 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -54.51 103.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 4.24 111.123 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.04 86.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 5.63 110.743 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 6.23 110.981 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.813 0.34 . . . . 4.27 111.274 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 6.8 ttt -67.16 -72.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.81 110.856 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 59.5 p -86.7 77.68 9.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 1.4 110.861 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.671 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -90.16 12.53 17.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.78 111.433 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.79 -26.54 62.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 1.46 110.909 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.93 -65.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 0.88 110.953 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.631 ' HG3' HD12 ' A' ' 49' ' ' LEU . 10.8 ttp -61.54 -36.19 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.87 110.657 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.617 HD13 ' O ' ' B' ' 118' ' ' ALA . 10.3 mp -65.55 -36.57 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.87 110.65 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -87.93 -17.07 32.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 3.33 111.321 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.837 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -50.85 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 1.09 111.338 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 25' ' ' ALA . 15.1 mt -75.35 -27.65 59.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.19 110.945 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.471 ' N ' ' HB1' ' A' ' 24' ' ' ALA . 1.2 mt 60.5 158.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 3.71 110.841 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.57 -25.13 34.14 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.759 -0.734 . . . . 3.14 112.569 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.51 48.27 14.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 4.75 110.882 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -46.27 7.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 8.98 110.826 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.1 t60 68.31 -65.72 0.25 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.094 -0.503 . . . . 8.27 111.097 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.325 -0.845 . . . . 11.32 110.985 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.739 0.304 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -105.11 168.81 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -157.16 -46.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 4' ' ' THR . 7.1 t -137.6 114.86 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.92 2.19 25.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.467 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.673 ' CG ' HG21 ' A' ' 80' ' ' VAL . 12.3 pt20 -54.84 -23.81 20.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.735 0.302 . . . . 0.0 111.161 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 9.5 mt-30 -75.25 -23.73 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -51.63 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -58.56 -38.47 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 109.971 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -44.72 -55.69 5.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.239 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.617 ' HA ' HD22 ' A' ' 79' ' ' LEU . 5.5 ttp85 -53.89 -26.0 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.947 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.01 -16.61 19.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.542 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 82.0 t80 -69.53 -29.64 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.726 0.298 . . . . 0.0 111.187 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.2 OUTLIER -109.77 178.91 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.39 161.71 14.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.726 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.0 -28.03 6.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.077 0.465 . . . . 0.0 110.13 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.4 -51.47 69.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.561 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.81 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.69 -20.8 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.066 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.499 HD13 ' NH1' ' A' ' 11' ' ' ARG . 54.3 mt -80.36 -63.95 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.872 0.368 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.31 -26.95 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -87.65 -31.38 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.866 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.94 -35.51 76.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.158 179.218 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -79.36 -8.71 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.96 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -46.01 -73.32 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 112.004 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.763 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -72.53 -4.28 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.277 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CG ' ' HD2' ' A' ' 23' ' ' LYS . 1.8 t80 -47.18 -28.88 2.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.723 0.297 . . . . 0.0 111.424 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.81 -59.21 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.561 ' HG3' HD13 ' B' ' 125' ' ' LEU . 9.0 mmt -58.63 -28.71 65.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 5.8 m-85 -57.74 -73.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -59.6 119.94 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.175 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.89 -49.12 6.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.787 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -88.17 -26.57 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.21 61.51 2.99 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.586 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.24 42.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.574 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.93 29.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.567 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 52.28 -177.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.489 HD13 ' CG ' ' A' ' 29' ' ' PHE . 65.5 mt -93.83 127.61 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -102.02 -163.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.608 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.615 ' CG2' HD12 ' A' ' 62' ' ' ILE . 1.3 p -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -34.58 64.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.362 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.37 -25.81 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.282 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.83 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -81.78 -57.57 3.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 111.202 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.9 5.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.84 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.65 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.83 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.763 HG21 ' CB ' ' A' ' 25' ' ' ALA . 6.5 p -60.57 -30.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.85 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -71.66 -32.92 68.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.607 -179.177 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -84.91 -26.86 27.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.488 ' HE2' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -93.84 10.23 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.593 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.023 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.9 mt -119.73 -41.33 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.72 -39.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.683 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 -67.92 161.4 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 15.7 t30 -144.21 48.78 0.93 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.825 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.2 Cg_endo -76.02 107.93 2.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.39 2.06 . . . . 0.0 112.237 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.488 HG22 ' HG2' ' A' ' 57' ' ' GLU . 5.4 t -64.44 173.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -50.33 -38.26 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.179 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.4 m -68.89 -31.83 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' HG22 ' A' ' 54' ' ' THR . 16.0 mm-40 -72.24 -54.62 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 42' ' ' LEU . 2.5 mt -66.62 -28.04 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.125 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.43 -24.86 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.802 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.1 -30.06 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.769 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.7 mp -82.33 -58.34 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.615 HD12 ' CG2' ' A' ' 39' ' ' THR . 44.7 mt -45.67 -45.89 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 t -54.75 -42.89 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.399 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.93 -32.67 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.007 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.679 HG22 ' CB ' ' A' ' 81' ' ' MET . 53.1 t -65.15 -42.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.45 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.71 99.67 11.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.77 -27.79 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.34 -27.99 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.14 53.54 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.344 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 p -110.96 -24.85 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.278 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.64 -7.46 76.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.496 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -105.03 150.53 24.88 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.882 0.372 . . . . 0.0 110.709 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.419 HG12 HG11 ' A' ' 65' ' ' VAL . 44.0 mt -107.62 115.12 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.441 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -174.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.89 -78.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 7' ' ' GLN . 12.7 mm-40 -61.02 -26.84 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.1 mt-10 -52.87 -25.08 10.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.311 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 20.6 t80 -68.21 -15.35 63.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.365 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.779 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.7 mp -95.33 -42.31 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.759 0.314 . . . . 0.0 110.448 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.673 HG21 ' CG ' ' A' ' 6' ' ' GLN . 7.8 p -66.38 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.679 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.6 ptm -49.48 -42.55 43.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.593 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.1 OUTLIER -85.78 -23.78 27.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 79' ' ' LEU . 94.0 t -68.39 -38.14 78.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.977 0.418 . . . . 0.0 110.06 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -65.63 -24.87 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.774 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -99.3 -25.01 14.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.432 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 5.8 mtt -72.31 -39.3 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.585 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -84.46 57.09 4.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.755 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.65 -172.69 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 60.37 -175.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.163 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 9.3 ttt -101.87 -65.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.748 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.7 p -88.78 53.07 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.655 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -80.43 0.46 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.898 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.85 -29.55 0.82 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.0 -66.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.735 ' CE ' HD12 ' B' ' 122' ' ' LEU . 2.5 ttp -56.13 -34.03 65.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.081 0.467 . . . . 0.0 109.879 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.735 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.7 mp -65.92 -40.99 91.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.068 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.64 14.17 14.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.023 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -78.51 -75.02 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.463 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.561 HD13 ' HG3' ' A' ' 28' ' ' MET . 6.7 mt -76.44 -20.9 56.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.45 ' N ' ' HB1' ' A' ' 24' ' ' ALA . 1.4 mt 56.68 170.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.37 87.51 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 27.9 t -119.93 173.48 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.48 141.56 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -163.71 -67.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 7.6 mttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.874 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.873 0.368 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.32 175.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -176.99 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.1 p -123.71 114.0 19.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.66 -2.02 40.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.454 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.464 ' CG ' HG21 ' A' ' 80' ' ' VAL . 7.6 pt20 -53.63 -24.77 15.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -76.62 -21.56 55.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.94 -50.6 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.85 -37.47 71.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.074 0.464 . . . . 0.0 110.11 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.746 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -45.37 -56.77 4.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.394 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.98 -26.01 13.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.43 18.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.254 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -24.95 59.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.039 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -112.24 171.09 7.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.29 160.71 17.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -27.49 7.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.241 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.52 -54.01 50.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.739 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.08 -27.57 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.936 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mt -74.66 -63.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.741 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 -26.3 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.191 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 23.4 mt-10 -90.26 -30.94 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.903 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.689 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -60.27 -33.48 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 179.078 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -79.44 -8.25 58.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.851 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.959 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.8 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -76.48 -2.73 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.316 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -46.44 -28.85 1.49 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.735 0.302 . . . . 0.0 111.538 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.77 -57.2 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.45 -28.28 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.761 ' HE1' HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.71 -75.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -52.35 118.55 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 -48.43 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 p30 -82.45 -22.56 35.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.869 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 37.22 19.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.548 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.16 43.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.96 20.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.665 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 66.0 m-20 55.82 -175.21 0.05 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.865 0.364 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.617 HD13 ' CD1' ' A' ' 29' ' ' PHE . 92.5 mt -100.3 120.25 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.23 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 p -106.78 -164.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.694 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.714 HG23 HD12 ' A' ' 62' ' ' ILE . 2.5 p -67.1 -28.63 68.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.172 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -81.26 -38.16 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.212 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.71 -16.63 63.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -83.82 -62.24 1.62 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.63 0.252 . . . . 0.0 111.085 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.32 -28.57 4.64 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.682 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -59.29 -75.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.919 0.39 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.3 p -63.89 -25.14 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.933 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -77.51 -32.48 54.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.41 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -83.71 -31.14 26.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.292 . . . . 0.0 111.439 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.479 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -90.15 10.09 25.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.102 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.8 mt -119.27 -38.55 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.349 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.55 -32.41 0.63 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.01 159.49 30.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.734 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.1 t30 -144.24 51.08 1.39 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.43 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.746 ' CG ' HD21 ' A' ' 58' ' ' LEU . 59.7 Cg_endo -71.74 107.98 2.32 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.503 2.135 . . . . 0.0 112.128 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 p -56.36 -178.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.51 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.07 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.771 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -59.15 5.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.746 HD21 ' CG ' ' A' ' 53' ' ' PRO . 11.9 mt -70.26 -36.09 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.744 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.65 -25.49 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.07 -32.09 59.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.3 -60.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 39' ' ' THR . 36.6 mt -43.17 -43.74 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.164 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.44 -41.56 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.32 -36.22 61.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.135 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 81' ' ' MET . 78.2 t -65.09 -56.25 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.91 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -81.43 -30.18 33.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.74 51.04 1.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.72 -25.05 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 0.0 111.187 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.21 0.31 85.86 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.559 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 38.7 p -111.65 144.18 41.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 77' ' ' GLU . 33.3 mt -102.84 118.84 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -168.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -61.12 -73.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.8 mm-40 -65.12 -28.03 69.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.592 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.597 ' HA ' HG12 ' A' ' 80' ' ' VAL . 5.4 mt-10 -52.1 -27.35 13.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.516 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 11.2 t80 -64.61 -16.04 62.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.157 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.1 mp -95.61 -49.35 5.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.2 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 77' ' ' GLU . 8.5 p -60.02 -30.56 45.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.0 OUTLIER -52.77 -42.17 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.765 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 2.2 mtp -86.69 -25.61 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 79' ' ' LEU . 75.9 t -61.47 -34.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.084 0.468 . . . . 0.0 110.135 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -73.12 -14.54 61.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.084 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.461 ' NE2' HG23 ' A' ' 61' ' ' ILE . 17.7 mt-30 -105.54 -22.39 13.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.874 0.369 . . . . 0.0 110.579 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.513 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 9.2 mtt -78.34 -47.07 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -72.09 -64.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.36 93.21 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.29 153.59 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.105 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.743 0.306 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.88 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.5 p -84.93 54.64 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.765 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -86.81 5.34 37.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.838 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.409 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 19.3 t70 -51.55 -26.77 9.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.869 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.741 ' CE ' HD12 ' B' ' 122' ' ' LEU . 1.2 ttp -54.3 -33.61 59.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 109.961 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.741 HD12 ' CE ' ' B' ' 121' ' ' MET . 7.5 mp -65.67 -39.31 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.338 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -90.29 12.75 17.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.102 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -79.34 -69.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.859 0.361 . . . . 0.0 111.458 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.594 HD11 HG23 ' A' ' 45' ' ' VAL . 8.5 mt -80.73 -21.01 41.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.372 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 27.8 mt 59.64 159.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.364 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.84 155.15 18.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.54 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 31.5 m -103.89 177.97 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -64.27 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -114.28 139.19 49.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.861 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.807 0.336 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.74 152.91 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.3 mtm -125.91 -50.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.542 ' O ' HG23 ' A' ' 4' ' ' THR . 10.1 t -177.19 109.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -106.51 2.07 25.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.568 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.664 ' CD ' HG21 ' A' ' 80' ' ' VAL . 5.3 pt20 -52.69 -25.92 12.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.99 -32.8 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.07 15.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.83 -35.44 68.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.851 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -46.99 -58.57 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.405 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -52.59 -27.07 15.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.84 -19.47 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.252 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -25.63 61.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.988 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD22 ' HE1' ' A' ' 86' ' ' MET . 7.4 mt -112.11 165.63 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 160.51 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.678 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -50.04 -28.11 6.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.082 0.468 . . . . 0.0 110.188 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.11 -54.92 38.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.658 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -18.99 60.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.21 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.5 mt -82.56 -63.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.917 0.389 . . . . 0.0 110.75 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.84 -26.34 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -86.45 -32.8 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.104 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -33.61 72.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.753 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 6.3 tptp -74.3 -15.91 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.722 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.7 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.315 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.864 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -76.52 -0.91 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -50.59 -29.29 10.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.762 0.315 . . . . 0.0 111.376 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.19 -62.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.989 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtm -57.26 -26.9 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' HG11 ' A' ' 45' ' ' VAL . 2.1 m-85 -55.83 -69.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -59.08 119.72 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.83 -51.05 5.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.877 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -87.56 -28.26 22.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.93 38.56 13.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.94 37.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.37 24.89 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 56.45 -176.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.488 HD13 ' CG ' ' A' ' 29' ' ' PHE . 79.6 mt -97.97 125.87 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.139 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.87 -164.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.705 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.942 HG22 HD12 ' A' ' 62' ' ' ILE . 57.6 p -70.11 -37.51 75.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -73.43 -35.94 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.23 -24.18 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -79.14 -56.95 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.331 -179.558 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.88 -27.69 6.69 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.822 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.64 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.13 0.49 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.864 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.5 p -61.38 -28.69 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.988 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -32.73 62.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.624 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -83.03 -28.1 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 111.412 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.576 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -93.02 10.19 32.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.497 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.09 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.9 mt -119.19 -39.97 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.04 -39.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.637 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -67.96 156.95 36.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 4.1 t-20 -144.14 48.88 0.95 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HG2' HD21 ' A' ' 58' ' ' LEU . 58.3 Cg_endo -71.69 116.89 4.88 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.41 2.073 . . . . 0.0 112.228 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.6 p -58.38 179.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.12 78.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.45 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -60.38 -64.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' A' ' 53' ' ' PRO . 4.7 mt -62.91 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.545 ' OD1' HG21 ' A' ' 39' ' ' THR . 4.4 m-20 -64.69 -28.13 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.54 61.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.2 mp -79.9 -60.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.338 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.942 HD12 HG22 ' A' ' 39' ' ' THR . 39.3 mt -44.63 -44.65 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.84 -38.0 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -78.4 -33.38 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.158 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 81' ' ' MET . 72.8 t -68.03 -54.69 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.62 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.57 112.87 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -99.08 28.39 4.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -149.16 22.1 0.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.43 48.19 55.2 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.697 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -27.75 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 66.95 14.55 63.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.59 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 p -116.38 144.7 43.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 49.9 mt -103.6 108.04 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.247 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.82 -167.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.29 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.5 mp0 -65.57 -21.24 66.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.4 mt-10 -52.57 -26.93 14.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.524 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 35.9 t80 -70.11 -14.42 62.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.88 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 mp -95.07 -32.36 13.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.664 HG21 ' CD ' ' A' ' 6' ' ' GLN . 6.0 p -79.03 -29.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.524 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.8 ptm -53.11 -41.09 64.67 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.547 0.689 . . . . 0.0 110.09 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.856 ' HE3' ' HB3' ' B' ' 118' ' ' ALA . 5.3 mtt -78.21 -33.18 50.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.627 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 79' ' ' LEU . 52.9 t -67.38 -22.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.965 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -16.84 49.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -108.9 -35.55 6.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.97 0.414 . . . . 0.0 110.481 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.529 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 7.0 mtt -60.27 -58.95 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HD3' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.77 81.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -153.62 164.88 37.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -58.97 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.06 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.705 0.288 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 22.2 ttt -89.39 162.66 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.815 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 p 58.49 35.34 24.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.856 ' HB3' ' HE3' ' A' ' 82' ' ' MET . . . -79.04 0.73 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.395 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -47.23 -27.47 1.52 Allowed 'General case' 0 CA--C 1.528 0.101 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.05 -67.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.811 0.338 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.705 ' HG3' HD12 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -54.61 -32.25 58.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.653 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.58 -37.85 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.266 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.16 0.65 57.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.009 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.09 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -66.86 -71.91 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.878 0.37 . . . . 0.0 111.691 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.666 HD11 HG23 ' A' ' 45' ' ' VAL . 7.0 mt -76.81 -24.63 52.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.285 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.5 mt 57.49 171.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -140.98 91.83 0.18 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.0 p -82.62 171.16 14.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -142.39 156.16 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -78.33 157.81 29.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.83 0.348 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -168.27 92.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.7 mmt -143.49 -47.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 4' ' ' THR . 8.9 t -162.34 114.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -111.91 2.12 16.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.444 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.43 -26.16 7.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.712 0.291 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.471 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.33 -34.17 74.83 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 110.578 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -52.88 16.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.829 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.42 -35.04 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -49.65 -57.61 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.096 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -26.64 15.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.837 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.51 19.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.269 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.67 -27.15 60.29 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.837 0.351 . . . . 0.0 111.023 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.62 167.31 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 162.61 18.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -50.35 -27.21 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.1 0.476 . . . . 0.0 110.207 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -59.53 -60.13 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.779 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.428 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.27 -24.19 10.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.14 -63.66 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.745 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.93 -26.88 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.992 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 16.8 mt-10 -88.9 -27.96 20.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.046 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -63.9 -42.77 97.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.125 179.304 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -69.21 -14.7 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.852 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -48.75 -68.76 0.15 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.026 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -80.91 -2.43 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 18.1 t80 -53.82 -24.84 16.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -83.52 -61.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.403 ' HG3' HD13 ' B' ' 125' ' ' LEU . 4.1 mmt -54.83 -27.28 40.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 45' ' ' VAL . 3.2 m-85 -57.69 -75.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -55.81 119.82 6.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.163 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.62 -51.87 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.843 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -82.89 -27.93 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.767 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.62 94.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.65 -25.85 0.95 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.549 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.1 -111.37 3.01 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 32.3 m-20 -158.49 -173.49 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 70.4 mt -93.98 122.32 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 p -107.0 -164.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.645 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.843 HG22 HD12 ' A' ' 62' ' ' ILE . 68.4 p -68.17 -30.37 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.066 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.78 -40.66 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.22 -24.94 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.812 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.07 -51.17 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.232 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.75 -20.23 39.05 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.616 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.5 m -65.6 -79.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.992 0.425 . . . . 0.0 111.254 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.642 ' N ' HG22 ' A' ' 44' ' ' THR . 3.2 p -56.5 -38.75 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.169 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.487 ' SD ' ' HE2' ' B' ' 121' ' ' MET . 2.5 mmt -65.07 -24.43 67.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.625 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -88.96 -28.99 19.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.547 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.05 10.13 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.528 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.038 HD22 ' HB1' ' B' ' 124' ' ' ALA . 34.7 mt -115.96 -40.28 3.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.359 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.14 -34.79 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.364 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.9 168.9 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.711 0.291 . . . . 0.0 110.564 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 1.7 t30 -144.19 44.93 0.5 Allowed Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 52' ' ' ASN . 52.1 Cg_exo -52.44 107.83 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 121.92 1.747 . . . . 0.0 112.068 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -60.41 167.88 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -57.03 -28.49 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 p -85.95 -33.32 21.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 61' ' ' ILE . 17.6 mt-10 -58.25 -60.19 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mt -63.72 -32.48 73.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.669 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.95 -25.23 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.688 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.37 -33.03 37.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mp -78.64 -57.39 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.441 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.843 HD12 HG22 ' A' ' 39' ' ' THR . 52.3 mt -46.88 -45.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.27 -34.06 71.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -82.65 -33.31 27.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.223 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.3 t -68.1 -49.69 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.98 117.65 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.088 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -102.7 28.03 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -148.6 21.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.07 56.9 12.39 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.73 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -119.58 -35.44 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 79.1 4.9 89.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.634 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.426 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.6 p -110.19 144.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.549 HG21 ' HD1' ' A' ' 78' ' ' PHE . 34.0 mt -105.21 119.0 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.366 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.42 -169.2 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.84 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 79' ' ' LEU . 13.4 mp0 -60.82 -29.11 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.711 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.8 mt-10 -53.23 -26.41 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.549 ' HD1' HG21 ' A' ' 73' ' ' ILE . 19.3 t80 -71.59 -11.98 61.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.096 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 76' ' ' GLU . 1.2 mp -95.54 -45.49 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 110.048 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.471 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.4 p -62.2 -30.3 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.917 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.508 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 2.1 ptm -53.57 -42.74 67.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.155 0.502 . . . . 0.0 110.381 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.912 ' HE3' HD21 ' B' ' 122' ' ' LEU . 3.2 ttm -80.08 -28.91 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 79' ' ' LEU . 73.5 t -63.41 -30.86 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.551 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -77.26 -18.48 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -108.12 -14.61 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.523 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.4 mtm -81.98 -56.58 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HD3' HG12 ' A' ' 83' ' ' VAL . 6.4 ptmt -77.65 75.64 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.75 32.23 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -177.31 -46.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.127 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.638 0.256 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 1.6 ttm -70.83 -66.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p -85.6 53.75 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.297 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.602 ' HB3' ' HE1' ' A' ' 82' ' ' MET . . . -76.95 -5.65 49.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.798 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 123' ' ' ARG . 28.4 t70 -42.79 -27.92 0.21 Allowed 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.93 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.56 -66.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.619 0.247 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.487 ' HE2' ' SD ' ' A' ' 46' ' ' MET . 0.1 OUTLIER -55.26 -39.85 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.912 HD21 ' HE3' ' A' ' 82' ' ' MET . 7.6 mp -60.34 -32.61 71.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.07 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.414 ' HA ' ' HB2' ' B' ' 126' ' ' LEU . 16.7 ttt85 -90.13 -19.83 23.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.038 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -56.94 -69.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 25' ' ' ALA . 9.0 mt -82.75 3.35 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.902 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.42 HD12 ' OE2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -40.85 -65.06 0.46 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.753 0.311 . . . . 0.0 111.507 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.42 141.81 15.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.572 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 30.9 t -153.46 -51.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.67 -65.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -93.84 134.47 36.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.7 p -96.88 154.27 17.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.7 mtm -153.29 -64.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 4' ' ' THR . 11.3 t -150.03 119.25 6.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.17 2.3 54.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -50.17 -38.38 39.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.737 0.303 . . . . 0.0 111.297 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 2.3 mp0 -64.64 -17.3 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.3 -50.55 5.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.26 -43.05 87.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.444 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.928 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.66 -57.78 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.532 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.674 ' HA ' HD22 ' A' ' 79' ' ' LEU . 2.9 mtt180 -52.81 -29.3 26.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.02 21.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.174 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.27 -19.75 63.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.07 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD12 HD23 ' A' ' 79' ' ' LEU . 9.9 mt -116.28 163.55 15.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.63 163.64 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -50.04 -27.76 6.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -58.62 7.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.641 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.411 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -58.41 -21.63 51.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 11' ' ' ARG . 57.1 mt -82.09 -64.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.05 -26.32 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 27.6 mt-10 -87.63 -30.95 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.166 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.2 -35.29 76.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.874 179.163 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tptt -78.61 -9.18 59.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.84 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.96 -72.2 0.06 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.017 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -79.58 -0.93 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 12.5 t80 -52.75 -25.14 10.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.681 0.276 . . . . 0.0 111.48 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.27 -65.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -26.46 23.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CE1' HG11 ' A' ' 45' ' ' VAL . 1.5 m-85 -55.85 -70.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -57.16 119.58 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.31 -51.51 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.968 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -81.06 -25.92 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.26 38.73 8.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.48 41.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.543 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.66 20.29 1.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.677 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 94.4 m-20 56.04 -174.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 111.001 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 41' ' ' GLU . 79.3 mt -101.42 129.92 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -111.66 -164.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.755 HG21 ' OD1' ' A' ' 59' ' ' ASP . 66.9 p -70.22 -23.88 63.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.21 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -37.56 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.203 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HB2' HG23 ' A' ' 37' ' ' ILE . 9.8 mt-10 -64.49 -18.02 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.48 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -81.25 -57.33 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.256 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.48 -26.8 5.39 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.676 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.5 m -58.72 -79.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.706 HG22 HD12 ' A' ' 49' ' ' LEU . 6.2 p -60.02 -32.67 50.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.973 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 mmt -68.49 -32.09 71.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -83.32 -28.51 28.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 111.563 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.586 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -94.12 10.29 34.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.566 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.977 HD22 ' HB1' ' B' ' 124' ' ' ALA . 22.5 mt -118.71 -40.93 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.52 -36.32 0.43 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -67.91 163.54 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 9.5 t30 -144.22 46.67 0.66 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.784 ' HG2' HD21 ' A' ' 58' ' ' LEU . 98.2 Cg_endo -77.63 107.66 2.42 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.238 1.959 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -60.54 178.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -56.45 -32.64 65.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -73.79 -44.18 56.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 61' ' ' ILE . 14.3 mm-40 -56.85 -45.82 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.784 HD21 ' HG2' ' A' ' 53' ' ' PRO . 1.2 mt -78.76 -22.63 46.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.755 ' OD1' HG21 ' A' ' 39' ' ' THR . 1.8 m-20 -71.99 -27.88 63.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.997 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.51 56.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.37 -59.66 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.736 HD12 HG22 ' A' ' 39' ' ' THR . 51.8 mt -44.75 -47.92 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.38 -34.01 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -83.68 -32.83 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.969 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 81' ' ' MET . 39.8 t -64.4 -50.67 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.5 103.0 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE2' HG21 ' A' ' 4' ' ' THR . 4.7 pm0 -71.53 -26.36 62.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.88 -26.59 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 56.77 1.54 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 -15.55 12.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.63 0.253 . . . . 0.0 111.465 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.55 4.17 69.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.229 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.45 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.2 p -114.57 138.79 50.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.831 0.348 . . . . 0.0 110.742 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.7 mt -98.85 110.48 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.479 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -170.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.09 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.7 mm-40 -65.63 -20.21 66.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.69 -22.83 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.218 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 24.9 t80 -70.98 -9.59 58.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.694 0.283 . . . . 0.0 111.003 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.896 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -95.42 -39.75 9.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 109.984 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.928 HG22 ' HB2' ' A' ' 10' ' ' ALA . 43.5 t -65.81 -32.73 59.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.699 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.581 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.2 ptm -52.93 -41.55 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.75 ' CE ' HD21 ' B' ' 122' ' ' LEU . 4.0 ttm -84.7 -30.49 24.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.498 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 79' ' ' LEU . 96.3 t -63.04 -37.92 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -15.94 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.382 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -109.3 -24.57 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.558 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 7.4 mtt -73.79 -44.89 54.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -69.78 -33.12 71.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.823 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.85 141.37 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.88 30.94 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.107 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.667 0.27 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 2.1 ttm -84.01 172.55 11.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.0 p 53.76 28.4 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.533 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -67.62 -10.83 55.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.501 ' HA ' HD22 ' B' ' 122' ' ' LEU . 24.8 t70 -41.22 -28.13 0.09 Allowed 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.09 -61.01 2.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.432 ' HG3' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -58.44 -37.16 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.063 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.75 HD21 ' CE ' ' A' ' 82' ' ' MET . 5.2 mp -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.07 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 13.91 14.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.977 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -86.4 -72.39 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.515 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 25' ' ' ALA . 6.3 mt -75.47 -10.58 59.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.632 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.17 106.18 0.32 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -158.85 -125.05 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.598 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.24 -73.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -87.52 146.65 25.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.18 31.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 22.5 mttt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.948 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.75 142.38 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mtt -134.77 -55.88 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 4' ' ' THR . 11.2 t -154.28 112.66 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -83.54 2.03 39.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.459 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.631 ' HG3' HG21 ' A' ' 80' ' ' VAL . 13.8 pt20 -52.92 -27.58 19.44 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.445 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -73.1 -18.98 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.58 -49.22 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.96 -37.15 73.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 0.0 109.773 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -46.97 -57.31 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.312 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.27 -25.92 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.849 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.12 19.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -27.16 52.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.972 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.509 HD22 ' HE1' ' A' ' 86' ' ' MET . 13.9 mt -105.23 154.59 20.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.1 161.23 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.617 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.95 -27.94 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -61.73 -53.74 52.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.645 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -21.99 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -80.92 -64.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.978 0.418 . . . . 0.0 110.643 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -25.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -87.75 -32.69 18.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.147 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.24 -33.47 72.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.904 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -74.98 -17.26 60.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.93 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.23 -74.04 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.19 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.74 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -75.82 -3.52 35.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.454 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 43.9 t80 -52.36 -27.09 14.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.78 -61.09 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mmt -57.68 -28.28 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE1' HG11 ' A' ' 45' ' ' VAL . 3.0 m-85 -57.01 -74.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -55.42 119.15 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.158 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.9 -46.97 6.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -66.15 -19.85 65.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.981 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.09 -82.69 0.2 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.53 60.29 0.55 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.25 -112.25 3.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.436 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 52.3 m-20 -134.48 -170.75 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 41' ' ' GLU . 51.2 mt -123.34 129.48 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.59 -163.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' HD12 ' A' ' 62' ' ' ILE . 3.3 p -65.21 -27.17 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -80.87 -49.86 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.155 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HB2' HG23 ' A' ' 37' ' ' ILE . 8.9 mt-10 -55.88 -22.73 27.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.374 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.561 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.43 -43.91 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.712 0.291 . . . . 0.0 111.124 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.66 -9.98 53.18 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.808 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -78.46 -75.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.49 . . . . 0.0 111.232 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.74 HG21 ' CB ' ' A' ' 25' ' ' ALA . 5.9 p -58.48 -37.53 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.301 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 2.4 mtp -68.25 -30.2 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -81.3 -29.88 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.515 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -94.11 10.18 34.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.531 -179.682 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.042 HD22 ' HB1' ' B' ' 124' ' ' ALA . 20.1 mt -117.85 -40.42 3.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.59 -39.23 0.36 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.627 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.95 160.39 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.727 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 t30 -144.19 51.13 1.41 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HG2' HD21 ' A' ' 58' ' ' LEU . 61.5 Cg_endo -73.77 108.4 2.63 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.458 2.106 . . . . 0.0 112.158 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.78 -177.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -55.23 37.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 p -58.98 -31.66 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -61.62 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.666 HD21 ' HG2' ' A' ' 53' ' ' PRO . 8.1 mt -67.32 -32.82 74.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -65.03 -27.53 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.11 62.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 110.726 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.4 mp -80.5 -60.05 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.336 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.489 HD12 ' CG2' ' A' ' 39' ' ' THR . 41.9 mt -45.63 -39.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.8 -40.36 97.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.649 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -37.99 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' A' ' 81' ' ' MET . 60.0 t -66.12 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.35 92.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.035 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.94 -29.89 68.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.84 -28.2 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.42 58.19 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -115.7 -30.21 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.82 -8.17 80.34 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.351 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 55.1 p -104.82 128.36 52.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.414 HD12 HG22 ' A' ' 37' ' ' ILE . 22.3 mt -90.59 107.84 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -65.25 -79.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.597 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.2 mm-40 -61.24 -22.76 65.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.2 mt-10 -52.74 -29.63 28.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.597 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.9 t80 -67.2 -14.7 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.743 0.306 . . . . 0.0 110.752 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -92.73 -40.98 10.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.604 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.631 HG21 ' HG3' ' A' ' 6' ' ' GLN . 6.8 p -69.18 -37.42 76.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.62 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.1 ptm -49.04 -41.35 34.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.681 0.753 . . . . 0.0 110.201 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.931 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 32.9 mtp -75.6 -30.54 59.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.772 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 79' ' ' LEU . 50.4 t -69.37 -31.41 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.677 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -22.39 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -106.04 -20.43 13.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.509 ' HE1' HD22 ' A' ' 14' ' ' LEU . 6.2 mtm -75.8 -40.37 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.457 ' HD3' HG12 ' A' ' 83' ' ' VAL . 2.1 mtpp -70.53 66.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.73 -69.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -161.85 -46.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.245 -0.884 . . . . 0.0 111.082 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.775 0.321 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.6 p -77.14 60.62 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.931 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -81.36 -0.39 41.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.03 -26.51 2.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.183 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.69 -69.54 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.715 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.7 OUTLIER -54.03 -32.4 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 110.194 179.318 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.715 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.87 -39.24 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.278 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 39.0 ttp85 -90.2 10.64 23.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.042 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.35 -70.34 0.48 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.98 0.419 . . . . 0.0 111.345 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.538 HD11 HG23 ' A' ' 45' ' ' VAL . 8.1 mt -78.73 -14.61 59.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.322 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.7 mt 64.37 -75.63 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.159 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.79 85.55 1.83 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.547 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 91.6 p -155.08 94.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -98.66 31.32 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 32.73 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.846 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.339 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -87.05 -177.82 6.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mmt -166.04 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 4' ' ' THR . 14.1 t -154.63 122.08 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.742 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.5 -0.75 27.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.753 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.527 ' CD ' HG21 ' A' ' 80' ' ' VAL . 3.9 pt20 -54.5 -23.74 17.62 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.6 mt-30 -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.31 -50.06 10.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.2 mt-10 -57.08 -37.12 71.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 109.855 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.66 -61.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.386 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -51.53 -26.98 9.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.62 -22.2 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.13 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.1 t80 -77.24 -27.03 53.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.71 153.43 21.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 161.3 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -27.29 5.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.055 0.455 . . . . 0.0 110.224 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -61.03 -57.41 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.767 179.53 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.438 ' HG2' ' HE1' ' A' ' 86' ' ' MET . 0.1 OUTLIER -54.94 -22.43 14.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.332 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.9 mt -80.31 -63.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 110.797 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.97 -25.67 1.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.402 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 5.7 mm-40 -90.45 -30.82 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD2' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.76 -34.31 74.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.81 179.112 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 10.0 tptt -75.0 -13.14 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.734 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' B' ' 126' ' ' LEU . . . -44.85 -80.13 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.828 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -75.31 -6.48 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -46.17 -29.85 1.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.655 0.264 . . . . 0.0 111.53 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -82.07 -59.7 2.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.558 ' SD ' HD13 ' B' ' 125' ' ' LEU . 1.6 mpt? -59.26 -26.66 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.758 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -58.69 -71.42 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -53.86 118.29 3.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.65 -46.16 6.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.049 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -64.61 -18.84 65.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.43 -65.22 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.487 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.92 34.09 0.35 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.584 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.68 -105.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.267 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -139.86 -178.99 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.924 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 29' ' ' PHE . 96.8 mt -111.34 118.84 58.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.276 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -102.78 -162.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.729 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.877 HG22 HD12 ' A' ' 62' ' ' ILE . 76.3 p -69.58 -27.85 65.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.254 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -26.54 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.421 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -74.31 -21.52 59.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.44 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.786 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -79.29 -61.68 1.93 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.69 0.281 . . . . 0.0 111.081 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.29 -28.41 3.21 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.575 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.668 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.65 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.828 HG21 ' CB ' ' A' ' 25' ' ' ALA . 8.0 p -64.88 -25.08 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.814 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.04 -31.57 58.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.621 0.248 . . . . 0.0 111.334 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -83.79 -31.28 25.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.381 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.68 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -90.13 10.1 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.047 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.6 mt -118.83 -37.83 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.056 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.21 -34.26 0.66 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.652 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.98 157.25 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.795 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.9 t-20 -144.18 50.3 1.23 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.617 ' HG2' HD21 ' A' ' 58' ' ' LEU . 47.9 Cg_endo -68.35 107.85 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.461 2.107 . . . . 0.0 112.038 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 57' ' ' GLU . 1.7 t -54.34 173.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.001 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -23.76 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 54.3 m -83.57 -30.3 27.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 0.0 111.306 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.608 ' HG3' HG22 ' A' ' 54' ' ' THR . 3.7 mt-10 -66.45 -54.18 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.106 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.786 HD22 ' HB3' ' A' ' 42' ' ' LEU . 5.4 mt -71.4 -15.01 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.7 -29.39 27.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.831 0.348 . . . . 0.0 110.789 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.43 62.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mp -78.93 -64.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.877 HD12 HG22 ' A' ' 39' ' ' THR . 50.2 mt -44.77 -31.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.75 -41.26 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.31 -40.81 58.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.478 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.605 HG11 ' HB3' ' A' ' 81' ' ' MET . 46.2 t -63.85 -50.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.834 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -75.83 80.66 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.22 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.49 -28.59 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.54 58.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 p -116.43 -31.87 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.91 -10.33 74.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.406 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.7 p -104.96 138.8 40.62 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.882 0.372 . . . . 0.0 110.758 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 77' ' ' GLU . 36.1 mt -97.95 116.55 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.53 -171.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.16 -69.08 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.077 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 7' ' ' GLN . 13.7 mp0 -70.65 -25.33 62.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 81' ' ' MET . 11.2 mt-10 -51.49 -25.63 6.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.469 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.522 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 9.6 t80 -67.35 -14.22 62.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.125 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.4 mp -95.32 -44.96 7.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.284 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.527 HG21 ' CD ' ' A' ' 6' ' ' GLN . 9.0 p -64.51 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.605 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.1 ptm -53.94 -42.55 68.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.115 0.484 . . . . 0.0 110.252 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.681 ' CE ' HD21 ' B' ' 122' ' ' LEU . 3.7 ttm -79.74 -30.89 40.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 79' ' ' LEU . 87.7 t -61.53 -42.42 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -17.24 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.396 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -108.48 -23.9 11.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.448 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.9 mtm -74.68 -39.93 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -70.1 -50.76 37.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.53 91.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -94.57 -31.63 13.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.054 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 115' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' B' ' 117' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.686 0.279 . . . . 0.0 111.145 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.5 -70.22 0.1 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.047 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 115' ' ' ARG . 17.2 p -90.66 39.38 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.576 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -69.7 -10.96 60.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 42.9 t0 -43.29 -28.83 0.35 Allowed 'General case' 0 CA--C 1.527 0.059 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.671 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.36 -61.01 2.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.661 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.0 ttp -59.62 -33.3 71.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 109.9 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.681 HD21 ' CE ' ' A' ' 82' ' ' MET . 9.2 mp -66.61 -37.05 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.908 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -90.42 11.76 20.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.616 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.047 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -78.93 -68.36 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.012 0.434 . . . . 0.0 111.821 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 45' ' ' VAL . 10.9 mt -77.06 -20.57 55.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.783 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 24' ' ' ALA . 16.9 mt -146.83 119.07 8.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -160.23 40.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 33.8 p -108.97 162.25 14.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.05 123.69 16.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -74.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.84 0.352 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -87.15 116.86 25.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.1 mtm -154.68 -171.89 4.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 4' ' ' THR . 12.0 t -77.13 107.01 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -104.47 2.21 30.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.437 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.791 ' HG3' HG21 ' A' ' 80' ' ' VAL . 16.5 pt20 -49.74 -28.81 6.63 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.743 0.306 . . . . 0.0 111.256 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.443 HE21 ' HG3' ' A' ' 77' ' ' GLU . 3.1 mt-30 -69.87 -25.68 63.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.86 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.8 mm-40 -55.61 -37.05 67.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.174 0.511 . . . . 0.0 109.744 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.77 -57.29 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.181 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -27.84 17.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.027 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.17 -19.91 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' CD2' HG11 ' A' ' 83' ' ' VAL . 6.6 m-85 -74.83 -18.66 60.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.235 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.758 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -120.97 168.09 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.939 0.399 . . . . 0.0 111.013 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.53 162.06 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -27.76 6.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 0.0 110.215 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.1 -57.24 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.674 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.758 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.51 -20.82 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -81.01 -61.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.9 -27.08 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.267 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.731 ' HG2' HD12 ' B' ' 126' ' ' LEU . 16.2 mt-10 -88.68 -31.26 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.877 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.698 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -59.82 -34.56 73.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.142 179.182 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.962 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -45.11 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.655 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -71.77 -4.74 29.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.2 t80 -46.76 -28.33 1.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.69 0.281 . . . . 0.0 111.593 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.5 -56.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.489 ' HG3' HD13 ' B' ' 125' ' ' LEU . 1.2 mmt -58.37 -35.11 71.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.702 ' CD1' HD13 ' A' ' 37' ' ' ILE . 1.7 m-85 -54.51 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -58.17 119.02 6.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -50.98 5.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -88.96 -29.47 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.724 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.12 54.14 5.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.587 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.0 37.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.622 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.67 28.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.647 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 97.2 m-20 52.72 -173.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.702 HD13 ' CD1' ' A' ' 29' ' ' PHE . 81.1 mt -96.57 126.95 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.77 -164.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.734 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.915 HG22 HD12 ' A' ' 62' ' ' ILE . 51.3 p -66.86 -43.49 83.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.102 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.93 -41.76 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.51 -22.69 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.388 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.69 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -81.5 -60.33 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.043 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -46.29 -26.98 2.54 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.953 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.64 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.8 m -65.01 -80.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.434 . . . . 0.0 111.149 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.685 HG23 HD11 ' B' ' 125' ' ' LEU . 4.0 p -57.11 -36.22 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.15 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.623 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.59 -32.41 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 7.6 mtp-105 -84.64 -27.56 27.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.659 0.266 . . . . 0.0 111.689 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.679 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -92.82 10.17 32.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.63 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.031 HD22 ' HB1' ' B' ' 124' ' ' ALA . 15.2 mt -119.81 -39.93 2.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.698 0.285 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 161.3 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.8 t-20 -144.16 48.52 0.9 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.387 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.82 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.5 Cg_endo -75.62 107.84 2.56 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.434 2.09 . . . . 0.0 112.12 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -175.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HE3' HG21 ' A' ' 39' ' ' THR . 5.7 tptm -58.72 -39.53 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.58 -36.32 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 61' ' ' ILE . 4.8 mm-40 -62.51 -53.37 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.82 HD21 ' HG2' ' A' ' 53' ' ' PRO . 4.3 mt -70.82 -28.42 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.14 -26.17 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.18 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.9 mp -83.03 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.915 HD12 HG22 ' A' ' 39' ' ' THR . 48.2 mt -43.23 -40.95 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.134 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.02 -45.9 91.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.62 -33.24 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 81' ' ' MET . 76.8 t -64.7 -48.2 85.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.565 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.8 119.14 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.043 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.24 -26.44 21.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -99.3 20.23 14.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.46 53.44 20.41 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.662 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.73 -18.36 13.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.25 . . . . 0.0 111.329 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.41 11.46 62.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.358 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.462 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 56.5 p -117.23 148.28 41.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 77' ' ' GLU . 24.3 mt -115.55 110.1 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.488 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -73.31 -167.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.756 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.95 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.722 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.26 -30.03 61.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.731 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.623 ' HB3' HG23 ' A' ' 73' ' ' ILE . 5.2 mt-10 -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.361 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.8 t80 -64.26 -15.81 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.378 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 mp -95.5 -44.75 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 110.411 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.791 HG21 ' HG3' ' A' ' 6' ' ' GLN . 8.5 p -64.32 -32.51 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.655 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.636 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -50.77 -42.77 58.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.746 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.2 OUTLIER -86.55 -24.78 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.075 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.94 HG13 ' HE2' ' A' ' 87' ' ' LYS . 91.9 t -65.64 -39.35 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.978 0.418 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -69.65 -16.0 63.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -103.47 -30.92 10.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.37 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.514 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 8.0 mtt -67.93 -56.1 10.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.693 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.94 ' HE2' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -74.59 -46.28 39.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.63 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -103.98 87.68 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.101 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.825 0.345 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 4.3 ttt -72.47 151.16 42.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t 56.56 39.12 30.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.746 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -82.47 4.83 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.643 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -45.14 -28.85 0.8 Allowed 'General case' 0 C--N 1.338 0.082 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.893 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.38 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.695 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.768 ' HG3' HD12 ' A' ' 49' ' ' LEU . 11.3 ttp -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 109.825 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.698 HD21 ' CE1' ' A' ' 22' ' ' PHE . 9.4 mp -64.94 -36.15 83.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.205 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -90.75 12.81 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.031 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -84.67 -70.15 0.6 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.89 0.376 . . . . 0.0 111.869 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 45' ' ' VAL . 7.3 mt -79.75 -8.2 59.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.863 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.731 HD12 ' HG2' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -52.58 101.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.763 0.316 . . . . 0.0 110.964 179.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 110.2 159.99 17.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.08 154.92 28.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.828 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.73 128.71 31.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.79 162.87 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.765 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.99 150.43 27.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -174.33 -60.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 4' ' ' THR . 15.0 t -176.21 119.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -82.86 2.16 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.59 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.598 ' NE2' HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -52.87 -24.75 9.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.687 0.28 . . . . 0.0 111.357 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.07 -9.2 59.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.247 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.41 -50.92 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.318 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -54.89 -42.89 72.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.258 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.987 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -43.88 -57.48 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.439 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.666 ' HA ' HD22 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -53.88 -25.7 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.794 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.04 -19.69 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CE1' ' HD2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -69.44 -12.96 62.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.288 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.815 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -126.73 167.6 15.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.48 160.63 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.83 -27.96 5.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.19 0.519 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.98 -53.71 51.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.597 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.815 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.47 -22.1 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.078 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 11' ' ' ARG . 60.9 mt -78.36 -64.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.709 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.21 -27.42 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' OE1' HD23 ' B' ' 126' ' ' LEU . 6.4 mm-40 -88.15 -32.42 18.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.389 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.746 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -60.59 -34.79 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.266 179.373 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 9.0 tmtt? -78.93 -11.52 60.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.115 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -42.44 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.8 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -70.62 -6.6 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.286 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 39.6 t80 -43.66 -30.42 0.62 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.712 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.04 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.508 ' HG3' HD13 ' B' ' 125' ' ' LEU . 4.4 mmm -57.68 -28.35 63.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.762 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -58.17 -74.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -55.01 119.06 4.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -83.52 -25.31 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.0 32.17 27.02 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.591 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.68 39.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.47 20.21 1.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.607 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 54.67 -176.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' A' ' 29' ' ' PHE . 85.9 mt -98.41 116.13 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.26 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -97.61 -163.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.682 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.688 HG22 HD12 ' A' ' 62' ' ' ILE . 23.6 p -67.24 -38.74 85.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.242 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.97 63.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.96 -22.46 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.799 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -80.56 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 111.032 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.17 -29.22 4.74 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.602 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.686 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -58.07 -78.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.4 p -61.81 -27.11 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.916 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.93 -32.4 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.566 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -85.76 -28.43 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.649 0.261 . . . . 0.0 111.353 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.512 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -91.69 10.2 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.506 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.021 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.6 mt -120.1 -40.54 2.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.769 0.318 . . . . 0.0 110.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -35.52 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.66 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.95 158.42 32.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t-20 -144.23 50.57 1.28 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HG2' HD21 ' A' ' 58' ' ' LEU . 59.9 Cg_endo -72.25 113.57 3.74 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.472 2.114 . . . . 0.0 112.272 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -57.02 -170.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' H ' HG22 ' A' ' 54' ' ' THR . 13.1 tptt -65.8 -54.67 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -34.19 68.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.33 -59.71 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 42' ' ' LEU . 6.2 mt -67.21 -31.23 71.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.03 -24.98 62.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.98 -33.95 57.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 110.739 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.8 mp -76.64 -60.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.688 HD12 HG22 ' A' ' 39' ' ' THR . 48.2 mt -43.96 -49.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -36.07 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.342 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -33.93 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.745 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 81' ' ' MET . 86.3 t -65.29 -58.43 7.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.311 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.68 114.85 4.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.232 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -89.16 -23.04 22.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -102.45 18.98 19.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 50.69 56.86 11.96 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.54 -18.93 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.562 0.22 . . . . 0.0 111.321 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.16 8.67 62.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.308 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 p -121.92 146.55 47.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.915 0.388 . . . . 0.0 110.752 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.5 mt -103.82 118.77 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.294 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -168.72 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -61.48 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.63 -24.57 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.9 mt-10 -53.65 -25.12 16.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.171 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.485 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 19.0 t80 -62.91 -16.01 57.43 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.758 0.313 . . . . 0.0 110.938 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.938 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 mp -95.25 -38.91 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 109.919 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.987 HG22 ' HB2' ' A' ' 10' ' ' ALA . 25.1 t -67.75 -37.37 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.836 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.716 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.0 ptm -45.48 -38.64 6.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.666 0.745 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.63 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 1.1 mmm -92.82 -27.97 16.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.36 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 79' ' ' LEU . 99.8 t -65.8 -42.07 91.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.874 0.368 . . . . 0.0 110.609 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.559 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.56 -27.18 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.211 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.85 12.6 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.417 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.558 ' CE ' HD21 ' A' ' 14' ' ' LEU . 2.5 mtt -103.91 -46.95 4.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.314 . . . . 0.0 110.7 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 2.7 mtpp -57.82 -32.91 68.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.14 -32.72 74.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.59 -30.9 68.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.127 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.696 0.284 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 4.2 ttp -93.4 -66.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 11.2 p -82.33 59.39 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.829 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.682 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -77.52 -1.97 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.964 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 22.5 t0 -45.06 -29.4 0.87 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.753 0.311 . . . . 0.0 110.939 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.54 -67.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.688 ' CE ' HD12 ' B' ' 122' ' ' LEU . 4.3 ttp -55.86 -34.61 65.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.183 0.516 . . . . 0.0 109.835 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.746 HD21 ' CE1' ' A' ' 22' ' ' PHE . 10.9 mp -64.56 -41.12 96.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.56 12.53 18.5 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.123 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.021 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.29 -73.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 111.411 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.574 HD11 HG23 ' A' ' 45' ' ' VAL . 7.1 mt -77.12 -19.99 56.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.397 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.442 HD23 ' OE1' ' A' ' 21' ' ' GLU . 18.2 mt 60.4 157.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.11 132.25 9.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.78 30.8 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.07 128.72 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -153.43 172.94 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.76 0.314 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -96.42 172.96 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -134.82 -46.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 4' ' ' THR . 8.8 t -143.84 108.07 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -102.43 2.07 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.499 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.682 ' CD ' HG21 ' A' ' 80' ' ' VAL . 4.0 pt20 -53.71 -24.02 13.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.486 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 2.2 mt-30 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.95 -48.66 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.759 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.8 mt-10 -52.58 -35.92 54.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.231 0.539 . . . . 0.0 109.751 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.54 -60.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.339 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HG3' HD22 ' A' ' 79' ' ' LEU . 4.4 ttp180 -51.65 -27.38 11.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.68 -21.18 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.195 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -76.23 -24.62 54.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD22 ' HE1' ' A' ' 86' ' ' MET . 14.1 mt -109.02 158.94 17.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.28 160.31 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.601 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.83 -27.79 5.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 0.0 110.163 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.63 16.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.744 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -21.19 47.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' PHE . 36.4 mt -80.66 -63.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.91 0.386 . . . . 0.0 110.724 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.37 -28.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.001 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 21.0 mt-10 -87.26 -33.92 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.985 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.07 -35.6 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.891 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -70.56 -21.43 62.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.893 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.03 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.464 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.869 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -77.08 -1.03 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 8.2 t80 -52.62 -25.45 10.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 111.48 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.91 -63.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.412 ' SD ' ' HE1' ' A' ' 48' ' ' MET . 11.6 mtt -56.83 -25.59 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 45' ' ' VAL . 1.5 m-85 -55.0 -66.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.59 120.31 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -50.71 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -88.14 -27.88 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.96 35.97 11.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.544 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.36 39.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.535 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.17 23.98 0.78 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.619 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 57.17 -177.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 78.6 mt -96.92 117.85 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -91.23 -164.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -66.27 -55.87 13.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.041 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -61.26 -36.06 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB3' HG23 ' A' ' 37' ' ' ILE . 10.8 mt-10 -56.59 -24.14 45.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.419 ' CD2' HG21 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -82.71 -57.03 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.24 -27.1 7.14 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.684 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -55.52 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 111.065 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.869 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.3 p -62.77 -26.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.781 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.07 -30.86 61.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 -28.83 21.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.639 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.7 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -91.23 10.05 28.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.564 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.999 HD22 ' HB1' ' B' ' 124' ' ' ALA . 18.4 mt -119.45 -39.93 2.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.5 -34.67 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.544 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.92 159.79 29.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.799 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 5.4 t-20 -144.23 50.32 1.23 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.736 ' CG ' HD21 ' A' ' 58' ' ' LEU . 72.1 Cg_endo -73.69 107.89 2.51 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.429 2.086 . . . . 0.0 112.11 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -57.66 -179.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.998 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 54' ' ' THR . 8.7 tptt -56.19 -46.89 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -31.3 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -60.35 -55.19 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' A' ' 53' ' ' PRO . 6.2 mt -73.38 -31.58 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.06 -27.02 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -29.9 57.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.78 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' B' ' 115' ' ' ARG . 2.6 mp -82.96 -60.78 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.374 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 39' ' ' THR . 41.7 mt -43.34 -43.63 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.1 t -56.67 -44.98 81.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.225 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.77 -32.18 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.994 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.589 HG22 ' CB ' ' A' ' 81' ' ' MET . 81.0 t -65.87 -46.55 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.473 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.79 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.078 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -27.54 62.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -82.6 -29.99 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.007 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.96 52.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.315 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.67 -26.47 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.25 -5.48 82.97 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.595 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 p -105.25 148.84 26.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.4 mt -105.33 112.31 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.37 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -169.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -58.31 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.8 mt-10 -68.0 -19.01 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' HG3' ' HG2' ' A' ' 7' ' ' GLN . 2.2 mt-10 -52.62 -27.01 15.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.512 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 25.1 t80 -72.35 -11.01 60.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.063 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -95.19 -35.67 11.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.808 0.337 . . . . 0.0 110.693 179.562 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 ' CD ' ' A' ' 6' ' ' GLN . 4.2 p -74.26 -32.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.589 ' CB ' HG22 ' A' ' 65' ' ' VAL . 2.9 ptm -50.93 -40.89 58.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.325 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.896 ' HE3' ' HB3' ' B' ' 118' ' ' ALA . 4.7 mtt -74.32 -37.7 63.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.882 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 79' ' ' LEU . 41.7 t -63.37 -37.86 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -19.66 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.257 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 81' ' ' MET . 1.9 mm-40 -110.03 -25.39 10.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.515 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtt -70.76 -34.11 71.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.577 ' HD3' HG12 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -68.78 -27.24 65.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 64.62 152.37 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.31 154.36 29.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.049 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 115' ' ' ARG . . . . . 0.533 ' HB2' HD11 ' A' ' 61' ' ' ILE . 47.3 ttp180 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 59.08 161.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 26.8 p 48.69 30.59 2.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.022 0.439 . . . . 0.0 110.61 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.896 ' HB3' ' HE3' ' A' ' 82' ' ' MET . . . -77.87 0.64 23.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.294 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -44.78 -28.46 0.64 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.685 0.279 . . . . 0.0 111.29 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.53 -65.11 0.62 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.677 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.4 ttp -56.4 -35.25 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 0.0 110.059 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.542 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.0 mp -66.3 -36.87 84.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.177 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -90.26 11.87 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.999 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -79.72 -73.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 111.45 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.7 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.5 mt -74.98 -20.33 59.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.379 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 13.0 mt 61.81 150.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.92 0.39 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.01 50.22 0.85 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 34.5 m -96.14 84.94 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -64.69 80.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.85 169.25 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.863 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.852 0.358 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -115.35 135.23 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -162.21 -44.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -166.14 121.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -77.8 -1.85 33.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.601 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -52.36 -28.6 20.1 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.83 0.348 . . . . 0.0 110.837 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -73.91 -12.93 60.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.12 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.15 -49.99 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.33 -41.73 69.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -43.32 -61.19 1.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.528 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.3 ttp180 -52.11 -26.17 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.75 -20.75 20.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.239 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 67.3 t80 -67.34 -32.62 73.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD21 ' CE ' ' A' ' 86' ' ' MET . 4.6 mt -107.0 164.95 11.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 160.39 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -27.77 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 110.041 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.8 mm-40 -63.34 -63.37 1.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.644 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -23.74 9.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 11' ' ' ARG . 44.7 mt -75.33 -60.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.081 0.467 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.15 -24.51 10.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.46 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -86.58 -34.11 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.194 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.36 -34.5 76.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.227 179.537 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -71.2 -17.87 62.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.34 179.151 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.505 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -48.05 -70.93 0.08 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.82 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -66.72 -10.27 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.148 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.7 t80 -49.65 -28.64 6.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -76.72 -60.75 2.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.826 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.504 ' HG3' HD13 ' B' ' 125' ' ' LEU . 3.6 mmt -61.73 -29.06 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 2.6 m-85 -55.34 -63.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -68.37 119.7 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.29 -50.75 5.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -88.45 -27.81 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.98 92.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.09 -27.18 0.38 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.11 -110.24 3.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 61.4 m-20 -149.42 -175.85 5.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.523 HD13 ' CG ' ' A' ' 29' ' ' PHE . 61.3 mt -91.04 117.64 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.05 -164.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.608 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -68.44 -45.76 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -67.71 -29.37 68.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.06 -25.85 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.245 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.604 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.94 -56.8 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 111.179 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.99 -26.22 26.43 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.4 m -58.01 -79.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.928 0.394 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.638 ' N ' HG22 ' A' ' 44' ' ' THR . 2.7 p -55.43 -26.42 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mmt -79.62 -29.65 41.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -87.03 -26.27 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.542 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.599 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -89.98 -11.97 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.478 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.641 HD22 ' HB1' ' B' ' 124' ' ' ALA . 30.6 mt -94.73 -50.13 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 111.184 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.31 -30.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.581 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -67.73 162.19 24.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.649 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -144.26 55.05 3.1 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.284 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.753 ' CG ' HD21 ' A' ' 58' ' ' LEU . 50.8 Cg_endo -67.83 107.94 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.471 2.114 . . . . 0.0 111.846 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.0 p -52.48 171.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.286 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -56.69 16.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -31.52 68.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.7 tt0 -58.63 -63.84 1.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 53' ' ' PRO . 5.7 mt -60.35 -30.48 69.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.768 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -26.57 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.1 -29.87 58.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.8 mp -80.49 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.298 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.608 HD12 ' CG2' ' A' ' 39' ' ' THR . 40.5 mt -44.71 -47.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -53.62 -37.03 62.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.274 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -83.48 -33.31 25.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.909 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.624 HG22 ' HA ' ' A' ' 81' ' ' MET . 90.2 t -64.18 -37.35 79.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.244 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.78 112.71 24.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -98.6 26.37 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -148.11 21.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.96 51.49 45.48 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.54 -24.91 9.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 111.353 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 63.79 15.96 58.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.416 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.437 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 69.4 p -125.16 140.04 53.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.492 HG12 HG11 ' A' ' 65' ' ' VAL . 25.0 mt -95.37 115.34 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.338 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.7 -166.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 73.3 m-85 -57.51 -84.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.525 ' O ' HD12 ' A' ' 79' ' ' LEU . 4.3 pm0 -67.11 -14.24 62.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.621 0.248 . . . . 0.0 111.202 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.24 -21.13 31.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 0.1 OUTLIER -68.76 -8.8 46.46 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.224 179.691 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.819 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.1 mt -95.76 -46.81 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.035 0.445 . . . . 0.0 109.834 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.778 HG22 ' HB2' ' A' ' 10' ' ' ALA . 23.7 t -58.49 -35.77 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.624 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.4 ptm -48.93 -40.19 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.455 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.733 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.4 OUTLIER -92.81 -28.58 16.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.003 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 79' ' ' LEU . 99.2 t -60.15 -40.35 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HG3' HG12 ' A' ' 80' ' ' VAL . 1.8 mtt-85 -69.73 -22.51 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -105.13 12.92 31.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.427 ' CE ' HD21 ' A' ' 14' ' ' LEU . 4.8 mtt -113.56 -43.93 3.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.735 ' HD2' HG12 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -55.73 -66.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.15 172.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.72 30.62 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.247 -0.883 . . . . 0.0 111.094 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.755 0.312 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 22.1 ttp -94.19 162.15 13.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.9 p 57.15 35.87 26.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.733 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -79.05 -0.55 31.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -43.05 -29.2 0.33 Allowed 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.467 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.46 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.045 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.491 ' HE3' ' HB3' ' B' ' 121' ' ' MET . 1.8 tmm? -53.4 -39.01 63.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.145 0.498 . . . . 0.0 109.895 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 118' ' ' ALA . 9.0 mp -61.15 -37.16 81.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.932 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -90.75 11.19 23.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.641 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -84.89 -75.74 0.34 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.963 0.411 . . . . 0.0 111.843 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.599 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.9 mt -73.08 -7.27 50.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.937 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.505 ' N ' ' HB1' ' A' ' 24' ' ' ALA . 1.1 tt -51.21 118.83 3.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.866 0.365 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' GLY . . . . . 0.481 ' N ' HD23 ' B' ' 126' ' ' LEU . . . 79.29 96.47 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.7 m -120.1 111.02 17.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.74 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -111.83 179.67 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 pttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.874 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.854 0.359 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -110.07 169.21 8.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.03 -48.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.479 HG21 ' OE1' ' A' ' 67' ' ' GLU . 5.7 t -179.38 117.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -112.16 2.31 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.622 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -46.16 -33.59 3.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.679 0.276 . . . . 0.0 111.471 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.465 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.08 -32.02 63.74 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.306 0.575 . . . . 0.0 110.378 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.45 -51.05 7.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.924 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.2 mm-40 -59.25 -40.53 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.913 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -44.22 -56.71 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.441 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' NH1' HD13 ' A' ' 19' ' ' ILE . 2.5 mtp85 -53.73 -26.04 21.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.91 -21.03 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CD2' HG11 ' A' ' 83' ' ' VAL . 2.8 m-85 -68.06 -28.33 67.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.819 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.82 169.64 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.55 161.48 20.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.601 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -50.44 -27.29 6.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 110.228 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -60.25 -60.22 4.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.805 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -24.13 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.219 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' NH1' ' A' ' 11' ' ' ARG . 78.9 mt -78.45 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.04 0.447 . . . . 0.0 110.634 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -24.21 13.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.356 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' B' ' 126' ' ' LEU . 1.8 mt-10 -89.0 -33.26 17.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.597 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -61.26 -33.08 72.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.652 178.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 13.8 tptt -70.4 -16.35 62.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -68.66 0.15 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.712 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -79.3 -0.67 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.163 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -45.15 -57.15 4.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.738 0.304 . . . . 0.0 111.655 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.83 -51.74 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.546 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 0.9 OUTLIER -57.25 -27.22 61.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CE1' HD22 ' A' ' 42' ' ' LEU . 3.1 m-85 -60.26 -75.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.86 119.0 6.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.25 -54.83 6.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -81.26 -30.7 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.74 102.57 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.87 -27.12 0.73 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.97 -110.05 3.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -144.1 -179.13 6.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 41' ' ' GLU . 54.8 mt -87.49 110.74 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -163.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.621 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -75.32 -35.93 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.958 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -80.01 -34.02 38.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.714 ' HB3' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -57.27 -38.21 73.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -69.09 -57.83 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.11 -27.62 15.38 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.745 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.79 -76.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.712 HG21 ' HB1' ' A' ' 25' ' ' ALA . 7.2 p -61.09 -25.8 37.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.524 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.85 -32.88 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.176 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -85.03 -26.81 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.699 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.607 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -94.1 10.06 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.969 HD22 ' HB1' ' B' ' 124' ' ' ALA . 15.1 mt -120.47 -42.41 2.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.667 0.27 . . . . 0.0 111.178 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.49 -40.54 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.665 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.76 162.19 24.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -144.26 48.74 0.92 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.453 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.835 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.5 Cg_endo -75.86 107.79 2.54 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.236 1.958 . . . . 0.0 112.022 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -59.9 -175.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.34 -34.06 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -78.34 -38.09 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.73 -49.42 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD21 ' HG2' ' A' ' 53' ' ' PRO . 1.4 mt -71.94 -24.08 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -29.17 68.15 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.741 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.54 -25.01 59.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.605 HD11 ' HG2' ' B' ' 115' ' ' ARG . 3.5 mp -88.35 -56.21 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.575 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.621 HD12 ' CG2' ' A' ' 39' ' ' THR . 31.0 mt -49.4 -41.62 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.951 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.45 -29.61 16.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -96.69 -33.48 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.185 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.62 HG22 ' CB ' ' A' ' 81' ' ' MET . 60.4 t -65.26 -47.19 88.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.667 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.554 ' OD2' HG22 ' A' ' 62' ' ' ILE . 7.1 m-20 -49.44 -45.91 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.04 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' OE1' HG21 ' A' ' 4' ' ' THR . 8.4 pt-20 46.27 28.9 0.75 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -165.64 -46.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.98 57.23 0.42 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.32 -23.52 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 111.397 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.68 -12.81 64.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.431 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -115.61 174.78 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 47.7 mt -118.59 116.38 51.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.528 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -60.14 -169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -68.77 -82.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.99 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 7' ' ' GLN . 3.5 mt-10 -53.31 -24.04 10.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.6 mt-10 -54.37 -31.16 54.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 75' ' ' PHE . 16.4 m-85 -56.52 -18.67 12.37 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.094 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.2 mp -95.13 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.141 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 10' ' ' ALA . 62.2 t -65.47 -35.03 74.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.62 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.8 ptm -47.75 -39.58 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.405 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.684 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 1.7 mmm -93.11 -24.36 18.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.613 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 79' ' ' LEU . 68.0 t -68.86 -28.85 41.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 0.0 110.512 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -78.45 -16.84 57.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -107.19 -31.18 8.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.025 0.441 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.8 mtt -67.52 -62.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -27.93 58.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 60.24 163.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.61 -32.64 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.137 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 115' ' ' ARG . . . . . 0.605 ' HG2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 2.2 ttm -87.71 -66.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.02 59.19 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.684 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -81.67 -1.07 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -45.93 -28.69 1.19 Allowed 'General case' 0 N--CA 1.46 0.043 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.001 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.1 -58.65 5.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.702 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.1 ttp -60.79 -33.18 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 22' ' ' PHE . 8.5 mp -68.99 -36.45 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.38 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -90.56 12.57 18.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.996 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.969 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -83.42 -75.18 0.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.63 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.607 HD11 HG23 ' A' ' 45' ' ' VAL . 6.2 mt -72.46 -13.2 61.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.621 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -53.92 -66.34 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 87.03 108.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 34.6 t 61.15 -177.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -106.06 -57.16 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -131.36 -51.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 6.9 tttt . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.832 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.805 0.336 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.86 -169.72 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.61 -62.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.687 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.2 t -143.93 122.05 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.775 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.7 0.03 32.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.637 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -52.14 -35.17 47.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -71.43 -13.24 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.36 -51.65 5.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.99 -43.98 82.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.843 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.68 -59.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.654 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.603 ' HG3' HD13 ' A' ' 79' ' ' LEU . 4.1 mtp180 -51.92 -26.81 11.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.96 -22.68 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -24.72 66.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD13 ' HG2' ' A' ' 18' ' ' MET . 5.0 mt -112.63 173.39 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 111.004 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 163.28 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.646 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -50.02 -27.83 6.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.091 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.73 -56.99 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.5 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.58 -20.49 56.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.189 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -83.27 -64.46 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.898 0.38 . . . . 0.0 110.716 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.36 -25.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 18.8 mt-10 -89.8 -30.96 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.03 -33.17 72.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.89 179.14 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 15.7 tptm -77.54 -12.32 59.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.785 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -44.63 -78.74 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.694 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -70.31 -7.32 41.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.228 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 31.4 t80 -45.44 -28.9 0.97 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.704 0.287 . . . . 0.0 111.59 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.82 -60.0 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtt -59.0 -29.04 66.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.7 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.78 -71.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.06 119.08 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.156 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -47.01 6.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.892 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -74.01 -19.43 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.3 -79.17 0.34 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.7 51.59 0.78 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.93 37.23 3.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 58.95 -177.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.953 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.496 HD13 ' CD1' ' A' ' 29' ' ' PHE . 82.1 mt -110.15 128.86 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.31 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 t -101.57 -163.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.7 HG22 HD12 ' A' ' 62' ' ' ILE . 18.1 p -73.37 -38.75 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -72.71 -30.74 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.085 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' CB ' HG23 ' A' ' 37' ' ' ILE . 1.8 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.7 HD22 ' HE1' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -77.43 -48.05 18.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.964 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -56.73 -16.27 16.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.827 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.643 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -74.3 -77.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.047 0.451 . . . . 0.0 111.36 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.694 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -60.04 -44.03 93.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.452 -178.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.437 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -61.14 -26.89 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.904 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 69.6 mtt180 -80.11 -42.84 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.504 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.613 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -82.83 5.66 20.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.04 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.998 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.9 mt -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.666 0.27 . . . . 0.0 111.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.57 -38.24 1.31 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.753 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.94 158.34 32.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.807 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 m120 -144.32 52.94 2.0 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.781 ' CG ' HD21 ' A' ' 58' ' ' LEU . 58.6 Cg_endo -71.2 109.42 2.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.564 2.176 . . . . 0.0 112.123 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.3 p -54.78 179.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -57.12 13.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.3 m -60.33 -29.3 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.729 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.47 -61.18 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.781 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.4 mt -67.53 -30.16 69.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.59 -26.59 65.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.09 53.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.735 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -81.94 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.7 HD12 HG22 ' A' ' 39' ' ' THR . 50.6 mt -44.28 -48.98 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -48.94 -29.25 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -92.31 -33.21 14.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.159 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.4 t -64.34 -46.78 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.74 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.23 -50.41 73.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.244 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.97 27.78 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.6 -45.2 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.72 53.9 0.44 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 p -117.42 -26.45 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.38 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.25 1.57 75.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.216 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 p -115.95 139.05 50.63 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.482 HG23 ' HB3' ' A' ' 77' ' ' GLU . 50.7 mt -99.51 123.16 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -167.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -66.72 -68.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.3 mt-10 -71.67 -20.62 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HB3' HG23 ' A' ' 73' ' ' ILE . 11.1 mt-10 -54.61 -23.81 18.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 t80 -71.4 -10.08 59.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.716 0.293 . . . . 0.0 110.963 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.603 HD13 ' HG3' ' A' ' 11' ' ' ARG . 1.3 mp -95.71 -44.52 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.843 HG22 ' HB2' ' A' ' 10' ' ' ALA . 24.1 t -60.75 -32.77 52.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.911 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.51 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.4 ptm -52.63 -40.16 62.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.325 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.737 ' HE1' HD11 ' B' ' 122' ' ' LEU . 5.4 ttm -84.8 -31.02 24.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 79' ' ' LEU . 88.5 t -59.17 -32.59 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -80.07 -11.09 59.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.011 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -106.92 -28.25 10.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.198 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.539 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 10.4 mtt -75.0 -54.07 7.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.0 82.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.13 128.86 39.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -103.51 170.65 7.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.069 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.681 0.277 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 116' ' ' MET . . . . . 0.406 ' HG2' ' N ' ' B' ' 117' ' ' SER . 26.5 ttt -73.06 162.43 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.68 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' B' ' 116' ' ' MET . 8.4 p 60.76 35.03 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.702 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.586 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -76.22 -1.07 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.261 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 28.0 t70 -49.33 -25.53 2.5 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.48 -62.38 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.679 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.8 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.0 109.793 178.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.737 HD11 ' HE1' ' A' ' 82' ' ' MET . 9.0 mp -66.64 -42.4 86.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.169 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.41 16.14 9.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.998 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -82.07 -71.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 111.43 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.613 HD21 ' HE1' ' A' ' 48' ' ' MET . 7.9 mt -78.26 -20.38 51.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.37 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' B' ' 126' ' ' LEU . 10.9 mt 59.6 160.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -92.84 114.89 4.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.556 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.92 173.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -116.97 -54.18 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.36 147.86 36.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 17.7 tttt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.882 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -127.3 173.24 9.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 ptp -161.97 -49.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 4' ' ' THR . 9.2 t -175.47 113.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -99.98 2.09 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.41 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -53.17 -26.37 16.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.582 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -70.29 -20.74 63.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.53 -49.53 6.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 27.6 mt-10 -54.0 -41.8 68.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.837 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.13 -59.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.49 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HA ' HD22 ' A' ' 79' ' ' LEU . 6.3 mtp180 -53.39 -28.4 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.38 -18.87 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.341 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -72.1 -10.0 59.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.36 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.516 HD21 ' SD ' ' A' ' 86' ' ' MET . 2.2 mt -132.34 172.18 12.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.35 161.13 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.91 -26.6 10.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.37 -56.24 24.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.638 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -55.25 -25.8 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.9 mt -74.82 -61.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.008 0.432 . . . . 0.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.23 2.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' CD ' HD12 ' B' ' 126' ' ' LEU . 1.0 OUTLIER -88.83 -30.51 18.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.82 179.208 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' HD23 ' A' ' 79' ' ' LEU . 1.1 m-85 -59.51 -37.03 77.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.935 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 21.7 tptt -78.27 -9.06 59.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.203 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.06 -71.54 0.07 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.791 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -84.55 -0.75 54.29 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -40.9 -31.84 0.19 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -76.79 -65.49 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.265 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.17 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.399 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -57.85 -60.2 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.224 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -60.79 -18.83 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.617 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.96 -68.5 0.09 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.275 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 p-10 -98.92 -26.13 14.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.3 33.69 52.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.56 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.5 -57.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.495 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.0 -112.35 3.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.408 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -130.38 -174.98 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.614 HD13 ' CD1' ' A' ' 29' ' ' PHE . 54.6 mt -83.18 113.54 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.375 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -163.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.478 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.565 HG22 HD12 ' A' ' 62' ' ' ILE . 2.7 p -74.11 -24.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.163 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -35.68 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.354 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.64 -27.0 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.138 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.32 -60.69 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.152 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.42 -30.67 12.59 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.682 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.634 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -54.32 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.093 0.473 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.791 HG21 ' HB1' ' A' ' 25' ' ' ALA . 6.1 p -59.93 -29.84 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.014 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 mmt -74.56 -36.17 63.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.545 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -24.8 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.602 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.696 ' CE ' HD11 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -93.61 10.07 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.604 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.965 HD22 ' HB1' ' B' ' 124' ' ' ALA . 13.9 mt -121.5 -43.03 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.23 -36.66 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.96 158.4 32.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.358 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -144.09 55.46 3.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.758 ' HG2' HD21 ' A' ' 58' ' ' LEU . 48.1 Cg_endo -67.91 107.95 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.578 2.186 . . . . 0.0 111.945 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 p -57.56 -177.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -56.93 14.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.88 -31.24 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.665 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.3 tm-20 -59.37 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.852 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD21 ' HG2' ' A' ' 53' ' ' PRO . 10.1 mt -61.41 -40.89 96.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.665 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.95 -24.16 66.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -30.74 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.81 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.0 mp -82.83 -58.52 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.433 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.565 HD12 HG22 ' A' ' 39' ' ' THR . 37.6 mt -44.87 -42.45 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.385 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -33.22 26.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.669 HG22 ' HA ' ' A' ' 81' ' ' MET . 62.7 t -67.77 -45.39 84.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.683 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.9 127.28 32.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.25 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -117.46 26.95 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -149.54 22.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.16 49.96 47.93 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.625 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.56 -27.44 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.226 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.54 9.34 68.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.501 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -122.01 165.28 16.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 110.72 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 45.1 mt -115.96 121.89 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.596 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.28 -167.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -62.6 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.87 -23.26 63.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.927 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.8 mt-10 -54.19 -25.65 23.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.517 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 52.5 t80 -64.19 -15.01 59.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.5 mp -95.35 -38.67 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.837 HG22 ' HB2' ' A' ' 10' ' ' ALA . 21.5 t -65.48 -36.15 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.538 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.669 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.1 ptm -49.02 -40.18 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.152 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.777 ' SD ' ' HE2' ' A' ' 86' ' ' MET . 4.9 ttm -87.3 -34.15 18.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.565 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 79' ' ' LEU . 66.9 t -59.47 -34.1 53.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.578 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -18.23 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.182 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -109.11 -13.56 14.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.021 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.777 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.2 mtm -86.92 -40.58 14.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.475 ' HD3' HG12 ' A' ' 83' ' ' VAL . 6.2 mtpt -69.41 67.87 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -136.72 96.81 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.59 167.45 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.089 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 26.2 ttm 63.78 -77.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 18.3 p -86.7 52.23 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 111.224 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.705 ' HB3' ' HE1' ' A' ' 82' ' ' MET . . . -81.15 -1.29 43.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.692 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.517 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 26.6 t70 -43.96 -28.95 0.51 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.496 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.17 -70.35 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.757 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.0 ttp -54.57 -31.84 57.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.843 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.685 HD21 ' HE3' ' A' ' 82' ' ' MET . 11.1 mp -64.66 -37.37 87.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.164 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -90.33 7.68 37.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.965 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.53 -76.5 0.18 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.56 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.696 HD11 ' CE ' ' A' ' 48' ' ' MET . 7.7 mt -77.07 -6.56 53.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.706 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.524 HD23 ' N ' ' B' ' 127' ' ' GLY . 1.2 tt -48.16 120.75 3.75 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 120.82 0.343 . . . . 0.0 111.189 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' GLY . . . . . 0.524 ' N ' HD23 ' B' ' 126' ' ' LEU . . . -151.26 95.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 16.0 t -154.3 -67.51 0.14 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.76 149.01 39.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -59.59 165.94 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.778 0.323 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 62.74 147.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -158.53 -45.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 4' ' ' THR . 11.9 t -168.18 120.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.21 2.05 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.48 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -53.97 -24.72 17.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.7 0.286 . . . . 0.0 111.336 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.527 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -93.27 -15.24 26.04 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.143 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.48 -49.58 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 110.936 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.07 -41.51 92.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.201 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' CB ' HG21 ' A' ' 83' ' ' VAL . . . -46.01 -56.64 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.659 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -53.16 -26.74 18.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.3 -21.67 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CD1' ' HD3' ' A' ' 87' ' ' LYS . 2.2 m-85 -71.82 -24.11 61.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -112.46 161.86 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.14 160.19 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -49.95 -27.55 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.66 -54.88 36.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.71 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -20.36 54.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.662 HG12 HD21 ' A' ' 79' ' ' LEU . 67.9 mt -84.74 -64.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.28 -26.35 2.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.24 -32.43 22.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -60.94 -34.23 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 4.4 tppt? -75.38 -14.79 60.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.807 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.81 -73.22 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.095 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.714 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -71.47 -4.11 24.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.279 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.44 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 4.8 t80 -47.73 -30.32 3.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -73.12 -66.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.533 ' SD ' HD13 ' B' ' 125' ' ' LEU . 1.9 mpt? -59.09 -27.68 65.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.678 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 1.5 m-85 -56.15 -69.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.81 120.21 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.094 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.11 -47.97 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -98.2 -29.4 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.768 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.16 35.86 32.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.628 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.8 30.42 0.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.53 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.87 27.63 0.24 Allowed Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.555 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 49.3 m-20 55.31 -175.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.528 HD13 ' CG ' ' A' ' 29' ' ' PHE . 62.5 mt -86.63 124.98 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.255 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 p -95.43 -163.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.522 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -70.61 -55.54 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -34.2 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.475 ' HB3' HG23 ' A' ' 37' ' ' ILE . 22.2 mt-10 -57.76 -29.03 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.63 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.146 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.39 -28.32 4.6 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.82 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -56.69 -78.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.714 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -62.11 -27.47 42.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.811 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.412 ' CE ' ' HD3' ' B' ' 115' ' ' ARG . 1.5 mmt -74.33 -29.28 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.401 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -88.79 -26.71 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.561 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.601 ' HE2' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -93.37 10.15 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.635 0.255 . . . . 0.0 111.476 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.755 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.0 mt -119.88 -41.28 2.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.678 0.275 . . . . 0.0 111.062 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.88 -35.4 0.3 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.7 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 161.19 26.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -144.22 51.21 1.44 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' CG ' HD21 ' A' ' 58' ' ' LEU . 68.8 Cg_endo -73.72 107.88 2.51 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.562 2.175 . . . . 0.0 112.167 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.1 p -56.45 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.015 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -57.17 -54.79 42.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.45 -30.35 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.568 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -59.13 -54.84 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.86 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.737 HD21 ' CG ' ' A' ' 53' ' ' PRO . 5.4 mt -74.18 -34.94 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.63 -24.97 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.8 -31.55 45.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 57' ' ' GLU . 1.7 mp -82.04 -56.64 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.529 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.5 mt -46.23 -45.87 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.958 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -54.69 -24.23 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -95.71 -34.59 11.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG21 HG12 ' A' ' 73' ' ' ILE . 1.2 m -69.17 -31.79 51.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.644 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.29 110.75 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -26.74 38.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.52 15.94 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.25 58.07 8.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.657 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.81 -22.43 11.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.662 0.268 . . . . 0.0 111.302 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.05 -1.13 87.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.44 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 3.5 p -109.83 157.76 18.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.327 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.564 HG12 HG21 ' A' ' 65' ' ' VAL . 76.3 mt -112.6 120.84 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.499 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -169.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -62.14 -70.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 79' ' ' LEU . 15.8 mt-10 -67.37 -28.59 68.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.082 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.6 mt-10 -53.99 -33.57 57.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.267 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 12.3 t80 -62.34 -15.41 48.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.926 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.971 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 mp -92.98 -42.69 9.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 6' ' ' GLN . 15.6 t -62.53 -39.9 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.735 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.611 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -46.9 -41.14 15.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.378 179.806 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.675 ' SD ' ' HE2' ' A' ' 86' ' ' MET . 4.1 ttm -87.58 -32.24 19.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.613 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 79' ' ' LEU . 65.7 t -61.31 -34.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.8 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -17.05 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.311 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -108.54 -21.84 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.675 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 7.3 mtm -78.27 -55.12 5.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -70.38 -34.47 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.59 169.23 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -135.89 148.3 48.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.116 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 115' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.842 0.353 . . . . 0.0 111.269 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 116' ' ' MET . . . . . 0.422 ' HG3' ' HA ' ' A' ' 86' ' ' MET . 1.5 tmt? -59.1 154.98 14.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 p 56.81 27.49 12.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.614 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' B' ' 115' ' ' ARG . . . -77.48 -1.05 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.335 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 7.9 t0 -46.24 -28.33 1.24 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.696 0.284 . . . . 0.0 111.275 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.2 0.61 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.701 ' HG3' HD12 ' A' ' 49' ' ' LEU . 1.7 ttp -56.65 -34.18 67.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 109.762 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.673 ' CD1' ' HE1' ' A' ' 82' ' ' MET . 8.6 mp -64.16 -38.84 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.1 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -90.22 -6.34 55.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.755 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -57.49 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.988 0.423 . . . . 0.0 111.725 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 45' ' ' VAL . 5.5 mt -70.7 -26.02 63.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.323 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 mt 54.62 175.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.11 -178.75 18.13 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.549 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -174.93 -175.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -128.6 163.37 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -121.72 104.0 9.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -63.43 168.52 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 mtm -174.12 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -166.02 123.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.793 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.87 2.3 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -50.35 -27.36 6.13 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.512 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -72.56 -14.58 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.089 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.14 -48.97 6.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 4.3 mt-10 -57.12 -40.65 77.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.186 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.805 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -44.44 -54.13 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.298 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.709 ' HA ' HD22 ' A' ' 79' ' ' LEU . 1.9 ttt180 -54.6 -27.1 36.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.754 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.87 -19.91 19.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.239 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m-85 -70.35 -12.07 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.29 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 7.3 mt -126.55 162.9 24.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.82 153.83 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.663 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.77 -28.09 5.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.189 0.518 . . . . 0.0 110.027 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.35 -48.73 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.479 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -16.16 63.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.572 HD11 ' O ' ' A' ' 11' ' ' ARG . 64.7 mt -84.54 -63.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -24.62 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.35 -33.19 19.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.248 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.02 -33.3 74.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.47 -12.66 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.617 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.83 -78.28 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.848 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -73.09 -5.88 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 14.1 t80 -46.57 -28.96 1.59 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.695 0.284 . . . . 0.0 111.521 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -61.07 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mtt -59.11 -26.69 64.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.863 ' CE2' HG11 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -56.84 -73.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.26 119.53 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 -51.83 5.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -80.24 -25.97 39.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.59 32.51 50.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.27 30.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.548 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.42 -112.12 0.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.416 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 33.5 m-20 -161.04 -175.16 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.632 HD13 ' CD1' ' A' ' 29' ' ' PHE . 80.4 mt -98.13 127.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -119.18 -164.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.586 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.951 HG23 HD12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -65.06 -24.93 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -84.76 -39.21 18.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.319 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' HB2' HG23 ' A' ' 37' ' ' ILE . 8.5 mt-10 -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.459 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.762 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -82.9 -61.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 111.086 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.99 5.52 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.04 -76.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.98 0.419 . . . . 0.0 111.063 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.863 HG11 ' CE2' ' A' ' 29' ' ' PHE . 8.2 p -64.35 -24.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.771 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG3' HD12 ' A' ' 42' ' ' LEU . 2.3 mmt -76.7 -32.43 57.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.4 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -85.43 -28.12 25.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -92.48 10.17 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.593 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.992 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.8 mt -119.72 -41.08 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -33.7 0.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.375 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.02 159.76 30.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 55.0 t-20 -144.14 51.74 1.63 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.505 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.711 ' CG ' HD21 ' A' ' 58' ' ' LEU . 71.6 Cg_endo -74.15 107.9 2.54 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.54 2.16 . . . . 0.0 112.077 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -59.01 -177.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -57.06 -53.29 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.786 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.17 -32.07 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -60.49 3.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.842 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.711 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.6 mt -67.52 -31.08 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.73 -27.09 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.89 59.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.6 mp -80.07 -59.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.38 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.951 HD12 HG23 ' A' ' 39' ' ' THR . 20.2 mt -45.2 -47.51 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.366 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -34.87 24.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.028 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 81' ' ' MET . 88.4 t -65.82 -47.09 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.06 97.89 7.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.228 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -76.11 -25.48 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.749 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -85.11 -29.81 24.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.79 49.78 1.74 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.287 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.41 -21.68 12.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.36 5.4 72.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.435 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 78.8 p -119.2 141.8 48.56 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.896 0.379 . . . . 0.0 110.807 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 36.0 mt -98.65 119.02 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.393 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.38 -168.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.34 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.8 mp0 -62.93 -29.23 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.036 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 81' ' ' MET . 9.4 mt-10 -50.87 -26.07 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.306 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.492 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 4.6 t80 -64.32 -13.6 51.16 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.938 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.0 mp -95.38 -44.97 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 10' ' ' ALA . 24.6 t -61.26 -35.9 69.2 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.74 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.598 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.4 ptm -47.54 -40.32 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.339 0.59 . . . . 0.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.841 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.9 OUTLIER -93.31 -32.52 14.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.326 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 79' ' ' LEU . 61.7 t -57.13 -31.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.861 0.362 . . . . 0.0 110.539 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.425 ' HG3' HG12 ' A' ' 80' ' ' VAL . 2.9 mtt-85 -77.85 -26.48 49.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -103.08 13.04 35.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' A' ' 82' ' ' MET . 4.2 mtm -116.1 -45.32 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.485 ' HD3' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -137.08 61.81 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.833 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 166.16 24.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.22 159.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.098 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.788 0.328 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -64.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.529 ' C ' ' H ' ' B' ' 119' ' ' ASP . 77.7 p -57.32 -100.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.736 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.841 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . 68.44 -26.0 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' B' ' 117' ' ' SER . 34.2 t0 -47.45 -30.01 3.09 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 121.043 0.449 . . . . 0.0 110.394 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.34 55.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.655 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.1 ttp -64.51 -34.27 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 22' ' ' PHE . 8.8 mp -65.28 -39.91 93.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.027 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -90.39 11.72 20.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.178 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.992 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -76.77 -74.44 0.24 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 111.334 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.707 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.8 mt -75.55 -24.16 56.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 14.2 mt 58.22 178.21 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.71 162.8 29.36 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 47.6 t -149.7 88.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -168.59 119.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -125.13 103.24 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.928 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.773 0.32 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m 60.54 104.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -164.97 -43.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 t -165.15 122.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -108.46 0.33 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.551 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.578 ' HG3' HG21 ' A' ' 80' ' ' VAL . 19.6 pt20 -54.96 -25.1 27.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.739 0.304 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.529 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 15.7 mp0 -78.78 -20.31 50.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.066 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.14 -50.06 8.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' PHE . 5.2 mm-40 -56.21 -39.02 71.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 109.995 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.64 -58.33 2.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.468 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' O ' HD11 ' A' ' 19' ' ' ILE . 6.6 mtp85 -53.04 -25.43 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.23 -19.34 18.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -78.14 -24.79 47.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD21 ' CE ' ' A' ' 86' ' ' MET . 17.7 mt -106.65 162.18 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.58 161.94 25.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.599 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -50.15 -27.65 6.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.064 0.459 . . . . 0.0 110.113 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.23 -55.47 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.445 ' HE1' ' HB2' ' B' ' 119' ' ' ASP . 0.0 OUTLIER -60.3 -20.07 57.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.078 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 11' ' ' ARG . 57.7 mt -86.24 -64.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.817 0.341 . . . . 0.0 110.755 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.69 -26.22 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 0.0 110.978 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 25.0 mt-10 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.051 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' HA ' ' HG ' ' B' ' 122' ' ' LEU . 0.0 OUTLIER -60.02 -34.82 73.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.825 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -73.27 -17.19 61.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.774 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.13 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.649 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -74.05 -2.63 25.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 16.9 t80 -51.28 -26.56 7.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 111.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -84.69 -61.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -26.4 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' HD13 ' A' ' 37' ' ' ILE . 2.3 m-85 -55.85 -67.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.09 120.05 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.05 -47.54 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -93.19 -24.78 18.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.911 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.56 63.17 4.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.581 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.12 -42.55 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.86 -104.45 2.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 36.5 m-20 -158.81 -174.7 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' CG ' ' A' ' 29' ' ' PHE . 55.8 mt -83.16 116.26 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.0 p -98.03 -164.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' HD12 ' A' ' 62' ' ' ILE . 19.2 p -67.66 -29.15 68.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -81.98 -43.71 17.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.057 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.76 -22.72 37.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.625 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.22 -58.71 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.196 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.28 -26.31 9.3 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.656 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.663 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.66 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.689 HG23 ' CE ' ' A' ' 48' ' ' MET . 7.2 p -62.23 -28.28 44.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.749 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.401 ' HG3' HD12 ' A' ' 42' ' ' LEU . 1.8 mmt -72.87 -30.71 64.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.3 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -86.2 -30.1 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.689 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -90.26 10.1 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.439 -179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.043 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.8 mt -119.32 -38.97 2.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.747 0.308 . . . . 0.0 110.997 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.11 -35.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.647 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.98 160.28 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 10.2 t30 -144.12 51.6 1.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.623 ' CG ' HD21 ' A' ' 58' ' ' LEU . 58.9 Cg_endo -71.37 112.66 3.39 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.524 2.149 . . . . 0.0 112.104 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 p -56.12 174.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -48.91 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.28 -36.56 80.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 61' ' ' ILE . 3.2 tt0 -58.08 -60.15 4.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 42' ' ' LEU . 5.4 mt -65.32 -31.79 73.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.81 -25.12 61.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.03 54.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.712 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.0 mp -79.73 -60.34 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.308 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.508 HG21 ' O ' ' A' ' 71' ' ' GLY . 43.0 mt -45.53 -43.49 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.125 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.014 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.5 t -57.41 -33.71 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.393 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -85.8 -35.9 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 81' ' ' MET . 59.5 t -65.49 -50.04 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.529 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.14 110.68 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -100.97 30.62 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.23 -45.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.95 42.75 0.51 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.236 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -24.72 10.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.719 0.295 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 62' ' ' ILE . . . 72.34 9.88 73.66 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.201 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 10.1 p -120.06 168.44 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 77' ' ' GLU . 41.7 mt -119.65 120.44 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.916 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -165.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -62.67 -73.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' ' 79' ' ' LEU . 2.3 pm0 -71.09 -22.4 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 73' ' ' ILE . 3.8 mt-10 -52.52 -27.03 14.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.528 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 30.8 t80 -70.57 -11.09 60.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.139 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 76' ' ' GLU . 1.2 mp -94.85 -44.01 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.145 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG21 ' HG3' ' A' ' 6' ' ' GLN . 5.5 p -64.67 -32.56 58.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.056 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.548 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.1 ptm -50.87 -41.82 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.284 0.564 . . . . 0.0 110.504 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.847 ' CE ' HD21 ' B' ' 122' ' ' LEU . 3.4 ttm -76.85 -37.47 55.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.65 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.532 HG13 ' CD ' ' A' ' 87' ' ' LYS . 56.7 t -56.97 -34.36 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -15.57 61.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.191 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -109.4 -27.02 9.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.603 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 8.6 mtm -72.73 -54.56 8.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.532 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -68.35 -29.42 68.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -153.84 114.29 3.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.95 -179.03 3.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.094 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 115' ' ' ARG . . . . . 0.47 ' CG ' HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.733 0.301 . . . . 0.0 111.075 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 116' ' ' MET . . . . . 0.409 ' HG3' ' HA ' ' A' ' 86' ' ' MET . 53.5 ttp 63.21 -78.4 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 119' ' ' ASP . 63.0 m -49.3 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.724 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.82 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . 69.09 -40.27 0.45 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 111.449 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.697 ' HA ' HD22 ' B' ' 122' ' ' LEU . 9.0 t70 -40.74 -30.0 0.11 Allowed 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.747 0.308 . . . . 0.0 111.561 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.96 1.96 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.37 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.759 ' HG3' HD12 ' A' ' 49' ' ' LEU . 8.9 ttp -60.45 -30.54 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.847 HD21 ' CE ' ' A' ' 82' ' ' MET . 5.4 mp -64.09 -42.31 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.757 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.23 12.89 16.69 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.043 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.21 -71.87 0.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.542 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 45' ' ' VAL . 8.4 mt -74.53 -27.65 60.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.69 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.53 HD23 ' H ' ' B' ' 127' ' ' GLY . 0.5 OUTLIER -159.56 152.6 21.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 127' ' ' GLY . . . . . 0.53 ' H ' HD23 ' B' ' 126' ' ' LEU . . . 167.26 -169.73 41.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -99.31 125.25 44.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -59.68 135.03 57.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -130.85 -46.42 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.852 0.358 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.08 174.76 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -153.17 -48.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 t -177.07 119.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -110.87 1.48 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.393 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.1 -30.47 36.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.34 -23.68 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.58 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.678 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' PHE . 10.3 mt-10 -57.08 -42.46 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.932 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -43.3 -59.73 1.98 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -26.53 22.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.758 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.7 -19.18 20.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.231 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -79.85 -38.79 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.006 -179.62 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.7 OUTLIER -89.23 156.74 18.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.47 154.83 36.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -28.38 5.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 0.0 110.284 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -47.14 86.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.553 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.683 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.46 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -71.24 -60.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' HD2' ' B' ' 129' ' ' LYS . . . -48.28 -28.01 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.018 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' OE1' HD23 ' B' ' 126' ' ' LEU . 4.3 mm-40 -87.96 -31.91 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.918 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.761 ' CD2' HD23 ' A' ' 79' ' ' LEU . 1.4 m-85 -58.42 -34.93 71.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.144 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tmtt? -79.45 -12.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.302 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.05 -72.2 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.882 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -77.26 -1.81 31.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.16 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 17.0 t80 -51.03 -26.58 6.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.743 0.306 . . . . 0.0 111.33 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -85.08 -44.8 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.012 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -68.8 -30.22 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.982 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.627 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 25.3 m-85 -59.08 -75.63 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -55.27 119.41 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.336 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.54 -46.83 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.735 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -98.91 -29.19 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.41 44.01 14.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.533 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.12 28.11 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.627 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.23 28.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.671 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 12.8 m-20 52.75 -163.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' CG ' ' A' ' 29' ' ' PHE . 19.3 mt -91.78 130.14 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.414 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -105.78 -164.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.63 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.793 HG22 HD12 ' A' ' 62' ' ' ILE . 11.5 p -71.16 -40.29 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.091 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -72.59 -38.57 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.36 -24.98 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.307 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 46' ' ' MET . 0.3 OUTLIER -80.28 -59.69 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.297 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.01 14.66 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.649 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.662 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.21 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.882 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.5 p -62.07 -27.29 42.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.786 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.491 ' HE1' ' HG2' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -76.66 -31.67 57.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.44 -179.428 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -87.08 -27.53 23.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.257 . . . . 0.0 111.325 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.592 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -92.47 10.1 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.472 -179.769 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.086 HD22 ' HB1' ' B' ' 124' ' ' ALA . 18.8 mt -119.49 -40.92 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.92 -36.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.596 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.491 ' HG2' ' HE1' ' A' ' 46' ' ' MET . 1.1 tp-100 -67.99 160.8 27.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -144.22 58.65 6.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.75 ' CG ' HD21 ' A' ' 58' ' ' LEU . 73.5 Cg_endo -74.29 107.99 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.587 2.192 . . . . 0.0 112.168 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -56.15 179.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -43.28 82.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.6 m -72.63 -30.4 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -57.2 -59.23 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.5 mt -69.23 -31.98 70.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -21.84 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -31.81 26.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.8 mp -82.35 -58.16 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.488 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.793 HD12 HG22 ' A' ' 39' ' ' THR . 46.5 mt -45.3 -44.47 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.182 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -39.85 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.314 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -33.29 57.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.259 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 ' CB ' ' A' ' 81' ' ' MET . 72.4 t -67.02 -55.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.37 119.32 12.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.942 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.15 28.76 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -155.92 26.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.64 54.92 10.12 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.696 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 p -116.72 -25.42 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 111.473 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.51 11.12 61.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.122 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 25.2 p -111.86 140.23 46.68 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 28.6 mt -105.84 96.58 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.428 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -52.59 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -51.71 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 7' ' ' GLN . 33.2 mp0 -61.21 -27.95 68.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.4 mt-10 -52.87 -23.81 7.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.637 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 55.3 t80 -72.61 -14.79 61.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.257 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.761 HD23 ' CD2' ' A' ' 22' ' ' PHE . 3.1 mp -95.46 -48.32 5.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 77' ' ' GLU . 8.8 p -58.67 -35.12 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.876 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.8 ptm -48.13 -41.49 26.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.787 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.0 OUTLIER -85.21 -32.96 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.89 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.852 HG13 ' CE ' ' A' ' 87' ' ' LYS . 65.4 t -57.21 -30.65 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.402 ' NH1' ' HA ' ' A' ' 65' ' ' VAL . 12.9 mtt85 -83.05 -20.79 34.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.061 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 81' ' ' MET . 7.3 mm-40 -112.96 1.41 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.586 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 1.6 ptp -116.56 -26.43 7.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.034 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.852 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -114.76 98.15 6.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.785 179.337 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.14 -170.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.55 159.35 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.807 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.27 -0.871 . . . . 0.0 111.122 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.761 0.315 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.06 -72.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.826 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p -78.81 59.71 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.787 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -82.77 0.57 43.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.461 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 30.0 t70 -46.38 -28.6 1.39 Allowed 'General case' 0 C--O 1.23 0.067 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.79 -70.16 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.738 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.6 OUTLIER -54.71 -33.1 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.067 0.46 . . . . 0.0 109.897 179.333 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.738 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.6 mp -65.59 -35.49 80.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.177 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -6.6 54.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 1.086 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -58.29 -71.54 0.11 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 111.67 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.592 HD21 ' HE1' ' A' ' 48' ' ' MET . 9.0 mt -78.84 -19.03 53.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.444 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.404 HD23 ' OE1' ' A' ' 21' ' ' GLU . 32.2 mt 65.11 -71.76 0.08 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.275 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' B' ' 125' ' ' LEU . . . 131.47 -112.36 1.19 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 65.1 m -144.55 100.75 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.963 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 129' ' ' LYS . . . . . 0.428 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -140.22 30.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -87.76 103.0 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.807 0.337 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -109.24 133.93 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.014 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -144.04 -62.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.747 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.6 p -109.77 107.05 16.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -75.39 -5.27 44.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.473 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.707 ' CG ' HG21 ' A' ' 80' ' ' VAL . 3.4 pt20 -47.81 -30.05 3.68 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.838 0.351 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -64.01 -33.42 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.72 -53.14 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.916 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.9 mm-40 -53.6 -39.86 65.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -42.76 -61.35 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' CG ' HD22 ' A' ' 79' ' ' LEU . 10.8 mtp180 -52.27 -26.2 11.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.55 -19.37 20.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.275 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -76.17 -13.4 60.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.241 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -129.19 172.07 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.12 162.3 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.672 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -27.38 5.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.058 0.456 . . . . 0.0 110.123 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.72 -60.63 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.71 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.856 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -55.18 -23.29 21.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 50.1 mt -73.87 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.09 -27.35 3.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 1.1 mm-40 -78.38 -33.36 48.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.649 ' HE2' HD13 ' A' ' 14' ' ' LEU . 19.4 m-85 -62.91 -47.35 83.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.48 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -67.56 -15.56 63.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.976 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -47.95 -71.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.087 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -80.93 -0.81 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 28.0 t80 -55.6 -30.47 60.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.756 0.312 . . . . 0.0 111.208 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.73 -49.95 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 tpp -68.06 -27.61 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CE1' HG11 ' A' ' 45' ' ' VAL . 2.9 m-85 -57.11 -67.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -57.89 118.3 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.55 6.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -62.29 -20.13 63.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.985 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.29 -80.68 0.25 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.7 48.69 0.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.23 -110.38 2.01 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.41 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -140.71 -176.09 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.428 HD11 ' CG ' ' A' ' 29' ' ' PHE . 57.9 mt -112.95 115.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -104.18 -164.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.655 HG22 HD12 ' A' ' 62' ' ' ILE . 67.2 p -67.11 -20.18 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.258 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -28.87 17.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.311 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.47 -25.16 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.368 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.18 -50.57 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.181 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.71 -21.24 35.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.705 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.63 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.8 m -62.47 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.698 HG23 ' CE ' ' A' ' 48' ' ' MET . 2.7 p -54.94 -37.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.91 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.474 ' HE1' ' HE2' ' B' ' 121' ' ' MET . 2.6 mmt -65.43 -23.76 67.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.513 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.12 -36.17 18.25 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.698 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -80.59 -20.38 43.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 111.336 -179.574 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.624 ' CD1' HG22 ' A' ' 45' ' ' VAL . 77.6 mt -82.86 -47.49 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.8 -23.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.509 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.81 160.85 27.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.701 0.286 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -144.17 54.34 2.76 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.75 ' CG ' HD21 ' A' ' 58' ' ' LEU . 52.6 Cg_endo -68.51 107.68 1.67 Allowed 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.513 2.142 . . . . 0.0 111.866 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -55.25 173.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.642 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' H ' HG22 ' A' ' 54' ' ' THR . 19.3 tptm -55.54 -45.39 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -32.04 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.652 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -62.29 -66.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 53' ' ' PRO . 12.1 mt -61.44 -33.8 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.06 -24.36 62.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.05 -32.68 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.792 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -79.35 -61.56 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.3 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.655 HD12 HG22 ' A' ' 39' ' ' THR . 51.8 mt -43.84 -35.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.388 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.4 -45.05 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.422 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.39 -37.66 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.397 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.632 HG11 ' HB3' ' A' ' 81' ' ' MET . 78.6 t -66.36 -63.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.717 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.89 118.02 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.13 26.69 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' CG ' ' HG ' ' A' ' 70' ' ' SER . 12.9 p-10 -148.6 21.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.2 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.84 37.66 15.36 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.801 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.406 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 1.5 p -92.22 -29.27 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.099 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.81 8.66 73.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.535 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.0 p -118.22 132.89 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 77' ' ' GLU . 59.1 mt -93.8 116.92 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.57 -165.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -78.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 79' ' ' LEU . 28.4 mm-40 -62.86 -23.67 67.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.042 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HB3' HG23 ' A' ' 73' ' ' ILE . 3.0 mt-10 -51.43 -28.82 13.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.616 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 32.7 t80 -66.29 -18.92 65.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.763 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.4 mp -90.68 -35.65 14.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.707 HG21 ' CG ' ' A' ' 6' ' ' GLN . 5.1 p -76.63 -34.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.207 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.632 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.3 ptm -50.3 -39.21 44.9 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.777 0.799 . . . . 0.0 110.12 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.942 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 4.3 mmm -76.16 -41.6 49.32 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 79' ' ' LEU . 41.7 t -58.29 -31.15 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -6.95 53.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.344 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 81' ' ' MET . 2.1 mt-30 -116.12 -22.67 8.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.703 0.287 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.534 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 11.8 mtt -79.62 -40.91 28.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.007 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' HD3' HG12 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -71.52 -46.92 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 75.26 -58.59 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.108 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 74.29 146.64 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.117 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 17.6 ttt -97.96 161.52 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.605 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 p 52.07 33.83 12.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.452 . . . . 0.0 110.579 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.942 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -76.44 0.6 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.337 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.454 ' HA ' HD22 ' B' ' 122' ' ' LEU . 25.7 t70 -46.29 -26.21 0.77 Allowed 'General case' 0 CA--C 1.527 0.068 0 CA-C-O 120.693 0.282 . . . . 0.0 111.415 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.42 -72.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.551 ' HA ' HD13 ' A' ' 49' ' ' LEU . 11.9 ttp -50.78 -41.34 56.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.204 0.526 . . . . 0.0 109.842 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.461 HD23 ' CE1' ' A' ' 22' ' ' PHE . 1.4 mp -59.88 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.085 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' B' ' 119' ' ' ASP . 8.3 ttt180 -90.55 -21.74 21.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.542 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -52.4 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.999 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' A' ' 25' ' ' ALA . 9.3 mt -75.77 -5.95 48.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.886 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.81 -65.88 0.56 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -137.61 114.57 1.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 80.1 p -84.51 58.07 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.45 -45.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.67 -65.32 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.3 175.32 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.57 -43.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.5 p -131.81 112.67 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.03 2.08 54.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.452 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -48.87 -42.53 36.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.815 0.341 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.466 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -58.61 -28.85 66.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.467 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.11 -53.89 6.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.176 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.6 mt-10 -58.86 -42.96 90.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.967 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -45.29 -56.45 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.169 179.39 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.659 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -55.17 -24.44 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.845 179.566 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.26 -16.24 20.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.465 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 87' ' ' LYS . 82.7 t80 -69.24 -27.29 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 0.0 111.232 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.88 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -113.37 174.08 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 111.028 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.65 161.51 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.71 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.03 -28.1 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.122 0.487 . . . . 0.0 110.164 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.16 -46.9 88.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.583 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.88 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.39 -18.28 60.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 11' ' ' ARG . 46.3 mt -81.98 -65.01 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.329 . . . . 0.0 110.776 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.98 -27.21 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.073 0.463 . . . . 0.0 110.816 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -86.51 -31.15 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.952 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.659 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.72 -36.12 78.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.29 179.246 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -80.52 -8.44 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.119 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.48 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -44.17 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.774 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -74.63 -0.93 19.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.12 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 75' ' ' PHE . 3.8 t80 -47.73 -27.99 2.25 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.741 0.305 . . . . 0.0 111.609 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.57 -49.87 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.302 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.247 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CE1' HG11 ' A' ' 45' ' ' VAL . 14.8 m-85 -57.3 -74.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.139 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -50.45 119.58 3.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.5 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -48.94 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.794 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -88.58 -26.13 22.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.14 68.03 1.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.61 37.57 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.567 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.72 -103.69 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.408 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 39.4 m-20 -155.89 -176.26 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.62 HD13 ' CG ' ' A' ' 29' ' ' PHE . 36.6 mt -87.67 131.26 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.173 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -110.06 -164.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.731 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.947 HG22 HD12 ' A' ' 62' ' ' ILE . 74.7 p -68.96 -48.77 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -63.51 -30.67 71.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.92 -25.12 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.193 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -80.75 -56.13 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.288 -179.585 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.82 -30.77 22.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.667 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.61 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.774 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -60.24 -30.57 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.027 -179.144 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.583 ' HE1' ' HG2' ' A' ' 51' ' ' GLN . 1.1 mtp -73.54 -34.52 65.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.6 -179.098 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mtp-105 -82.97 -26.7 31.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.593 0.235 . . . . 0.0 111.58 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.713 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -94.05 10.15 34.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.688 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.751 HD12 ' HG3' ' B' ' 121' ' ' MET . 15.0 mt -121.11 -42.6 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.678 0.275 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.47 -42.54 0.2 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.918 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.583 ' HG2' ' HE1' ' A' ' 46' ' ' MET . 25.3 mp0 -67.83 162.2 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.746 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 3.9 m120 -144.33 52.54 1.86 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.729 ' HG2' HD21 ' A' ' 58' ' ' LEU . 80.1 Cg_endo -76.72 107.91 2.55 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.503 2.136 . . . . 0.0 112.153 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -176.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -53.15 60.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 23.0 t -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -60.75 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.729 HD21 ' HG2' ' A' ' 53' ' ' PRO . 8.6 mt -65.27 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.02 -25.97 68.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.44 -30.36 53.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.688 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -82.98 -59.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.344 179.368 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.947 HD12 HG22 ' A' ' 39' ' ' THR . 30.1 mt -43.9 -42.87 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.112 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.2 t -57.57 -47.98 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -32.81 65.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.953 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' CB ' ' A' ' 81' ' ' MET . 53.1 t -63.32 -51.8 66.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.344 179.312 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.75 118.34 17.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -90.05 -24.14 21.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -100.18 19.89 15.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.9 58.84 7.29 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.688 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 p -113.95 -23.9 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.666 0.269 . . . . 0.0 111.358 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.21 1.82 76.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.385 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 7.7 p -113.23 150.56 32.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 51.1 mt -107.38 120.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.504 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -170.82 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -62.1 -74.79 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 79' ' ' LEU . 22.8 mt-10 -66.76 -25.42 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 81' ' ' MET . 2.8 mt-10 -52.5 -26.14 12.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 18.6 t80 -63.71 -15.13 57.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.113 179.714 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 mp -95.32 -43.75 7.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.964 0.411 . . . . 0.0 109.942 178.919 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.967 HG22 ' HB2' ' A' ' 10' ' ' ALA . 54.8 t -62.93 -34.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.648 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.63 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.7 ptm -49.89 -41.37 45.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.572 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.495 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.0 OUTLIER -91.55 -28.33 17.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.158 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 79' ' ' LEU . 90.4 t -59.65 -42.6 88.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.954 0.407 . . . . 0.0 110.279 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -65.04 -26.13 68.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.723 179.577 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -102.97 13.01 35.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' MET . . . . . 0.544 ' CE ' HD21 ' A' ' 14' ' ' LEU . 4.4 mtm -116.17 -37.88 3.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -57.3 -67.65 0.3 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.869 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.33 140.01 42.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -158.13 29.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.064 -179.988 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.699 0.285 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.687 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 117' ' ' SER . . . . . 0.505 ' C ' ' H ' ' B' ' 119' ' ' ASP . 71.1 m 52.86 -109.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.521 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 118' ' ' ALA . . . . . 0.556 ' O ' HD13 ' B' ' 122' ' ' LEU . . . 70.75 -23.48 0.17 Allowed 'General case' 0 C--N 1.333 -0.148 0 O-C-N 122.405 -0.185 . . . . 0.0 111.258 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 119' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' B' ' 117' ' ' SER . 11.0 t70 -46.19 -31.04 2.21 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.051 0.453 . . . . 0.0 110.101 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.3 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.109 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 121' ' ' MET . . . . . 0.765 ' CE ' HD12 ' B' ' 122' ' ' LEU . 5.9 ttp -60.08 -39.38 85.87 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 122' ' ' LEU . . . . . 0.765 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.4 mp -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.835 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -90.66 11.47 22.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.426 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 124' ' ' ALA . . . . . 0.72 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -76.85 -79.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.92 0.39 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.713 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.7 mt -71.66 -21.24 61.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.39 -179.5 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 126' ' ' LEU . . . . . 0.48 ' N ' ' HB1' ' A' ' 24' ' ' ALA . 72.2 mt 53.08 179.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -106.41 -107.75 3.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.81 118.87 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.737 0.303 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -134.25 100.31 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -150.82 88.43 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 37.0 mttp . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.926 179.963 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.787 0.327 . . . . 1.62 110.786 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -68.27 -29.04 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 2.07 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.7 -51.02 15.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.8 111.058 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.37 -28.92 67.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 1.72 110.831 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.94 69.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.61 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG3' HD13 ' A' ' 79' ' ' LEU . 4.7 mtp180 -59.09 -30.28 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 2.07 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.85 23.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.86 111.163 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.18 -30.87 69.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 2.18 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.55 151.14 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.85 110.841 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 164.44 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.6 110.85 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.15 -30.1 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 2.67 110.802 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -38.47 83.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 2.48 110.848 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -45.07 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.86 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 22' ' ' PHE . 38.2 mt -56.44 -46.79 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.86 111.156 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.71 -60.28 3.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.83 -26.22 68.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 2.01 110.501 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -55.8 -35.01 65.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.996 -0.547 . . . . 3.68 110.895 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -82.28 2.43 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.986 -0.552 . . . . 2.98 111.418 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.1 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.831 0.348 . . . . 0.93 111.528 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.717 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -78.6 -1.72 35.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.8 111.95 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 20.3 t80 -52.03 -27.53 14.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.308 . . . . 1.75 111.14 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.98 -54.7 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 2.19 110.842 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 1.31 110.975 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.744 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -55.45 -70.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 1.48 111.069 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -58.03 118.02 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 1.08 110.947 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.38 -53.34 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.1 111.11 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.21 110.908 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.837 0.351 . . . . 1.32 110.761 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.744 HD13 ' CD1' ' A' ' 29' ' ' PHE . 42.2 mt -95.88 130.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.078 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -115.01 -166.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.49 110.712 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.582 ' CG2' HD12 ' A' ' 62' ' ' ILE . 3.6 p -68.3 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.65 110.959 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -47.42 23.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 3.35 110.988 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.28 -29.47 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.53 111.064 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.735 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -70.07 -60.74 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.42 111.093 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.7 -23.84 23.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.811 -0.709 . . . . 0.52 112.779 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.2 m -59.57 -76.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.334 . . . . 0.61 111.001 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.717 HG21 ' CB ' ' A' ' 25' ' ' ALA . 9.5 p -61.21 -24.28 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.62 111.486 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mmt -76.99 -29.44 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 1.15 111.153 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -88.72 -27.47 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.34 . . . . 2.38 111.156 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.526 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -97.79 35.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.85 111.05 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.837 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.8 mt -146.39 -47.98 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.94 110.908 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.62 -42.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.88 112.506 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.17 166.08 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 1.94 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 7.8 t30 -149.7 53.15 1.23 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 2.19 111.007 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.473 ' CG ' HD21 ' A' ' 58' ' ' LEU . 63.9 Cg_endo -73.6 107.8 2.48 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.508 2.139 . . . . 0.51 112.2 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -178.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 1.44 111.058 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 2.21 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.48 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 1.6 110.909 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.651 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -60.09 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 2.15 110.921 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 42' ' ' LEU . 13.1 mt -59.19 -38.0 78.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.4 110.935 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.57 -30.87 68.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 1.78 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.3 78.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.59 111.059 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 57' ' ' GLU . 5.3 mp -70.25 -60.48 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.55 110.975 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.582 HD12 ' CG2' ' A' ' 39' ' ' THR . 42.9 mt -47.0 -37.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.318 -0.401 . . . . 0.44 111.362 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.4 t -59.16 -31.28 68.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.81 110.841 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -87.81 -32.41 19.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 1.99 110.728 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 81' ' ' MET . 27.7 t -63.4 -60.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.77 111.039 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.28 102.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 1.16 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.89 -30.08 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 3.3 111.049 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -82.46 -30.99 29.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 1.33 110.993 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.8 53.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.82 112.388 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 -23.09 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.65 111.208 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.75 15.15 81.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.671 -0.776 . . . . 0.56 112.567 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.2 p -125.5 140.79 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.816 0.341 . . . . 0.72 110.776 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.6 mt -99.33 121.43 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.52 111.297 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.93 -169.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.74 110.875 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.23 -75.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 2.31 110.889 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 79' ' ' LEU . 4.7 mt-10 -66.55 -25.27 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.408 . . . . 2.25 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.02 -23.59 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 1.23 111.144 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 37' ' ' ILE . 34.1 t80 -70.67 -15.72 62.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 2.4 111.209 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.2 mt -91.81 -37.48 12.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.65 111.203 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.96 -26.53 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.14 111.599 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.417 ' CB ' HG22 ' A' ' 65' ' ' VAL . 4.3 ptm -58.01 -35.71 71.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.49 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.671 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.1 OUTLIER -84.73 -30.94 24.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 1.19 110.62 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 79' ' ' LEU . 30.2 t -66.51 -31.29 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.59 110.921 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -73.68 -8.71 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 2.15 111.254 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -115.73 -30.49 6.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.796 0.331 . . . . 2.19 111.111 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.554 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 10.9 mtt -63.06 -75.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.86 111.2 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD2' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 3.37 111.128 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.877 0.37 . . . . 1.4 110.861 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.671 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -90.16 12.53 17.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.78 111.433 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.79 -26.54 62.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 1.46 110.909 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.93 -65.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 0.88 110.953 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.631 ' HG3' HD12 ' A' ' 49' ' ' LEU . 10.8 ttp -61.54 -36.19 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.87 110.657 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.617 HD13 ' O ' ' B' ' 118' ' ' ALA . 10.3 mp -65.55 -36.57 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.87 110.65 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -87.93 -17.07 32.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 3.33 111.321 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.837 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -50.85 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 1.09 111.338 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 25' ' ' ALA . 15.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.19 110.945 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.673 ' CG ' HG21 ' A' ' 80' ' ' VAL . 12.3 pt20 . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.735 0.302 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 9.5 mt-30 -75.25 -23.73 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -51.63 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -58.56 -38.47 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 109.971 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -44.72 -55.69 5.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.239 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.617 ' HA ' HD22 ' A' ' 79' ' ' LEU . 5.5 ttp85 -53.89 -26.0 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.947 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.01 -16.61 19.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.542 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 82.0 t80 -69.53 -29.64 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.726 0.298 . . . . 0.0 111.187 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.2 OUTLIER -109.77 178.91 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.39 161.71 14.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.726 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.0 -28.03 6.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.077 0.465 . . . . 0.0 110.13 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.4 -51.47 69.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.561 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.81 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.69 -20.8 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.066 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.499 HD13 ' NH1' ' A' ' 11' ' ' ARG . 54.3 mt -80.36 -63.95 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.872 0.368 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.31 -26.95 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -87.65 -31.38 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.866 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.94 -35.51 76.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.158 179.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -79.36 -8.71 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.96 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -46.01 -73.32 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 112.004 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.763 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -72.53 -4.28 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.277 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CG ' ' HD2' ' A' ' 23' ' ' LYS . 1.8 t80 -47.18 -28.88 2.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.723 0.297 . . . . 0.0 111.424 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.81 -59.21 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.561 ' HG3' HD13 ' B' ' 125' ' ' LEU . 9.0 mmt -58.63 -28.71 65.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 5.8 m-85 -57.74 -73.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -59.6 119.94 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.175 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.89 -49.12 6.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.787 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.776 179.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.489 HD13 ' CG ' ' A' ' 29' ' ' PHE . 65.5 mt -93.83 127.61 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -102.02 -163.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.608 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.615 ' CG2' HD12 ' A' ' 62' ' ' ILE . 1.3 p -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -34.58 64.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.362 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.37 -25.81 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.282 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.83 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -81.78 -57.57 3.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 111.202 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.9 5.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.84 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.65 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.83 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.763 HG21 ' CB ' ' A' ' 25' ' ' ALA . 6.5 p -60.57 -30.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.85 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -71.66 -32.92 68.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.607 -179.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -84.91 -26.86 27.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.488 ' HE2' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -93.84 10.23 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.593 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.023 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.9 mt -119.73 -41.33 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.72 -39.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.683 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.92 161.4 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 15.7 t30 -144.21 48.78 0.93 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.825 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.2 Cg_endo -76.02 107.93 2.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.39 2.06 . . . . 0.0 112.237 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.488 HG22 ' HG2' ' A' ' 57' ' ' GLU . 5.4 t -64.44 173.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -50.33 -38.26 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.179 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.4 m -68.89 -31.83 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' HG22 ' A' ' 54' ' ' THR . 16.0 mm-40 -72.24 -54.62 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 42' ' ' LEU . 2.5 mt -66.62 -28.04 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.125 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.43 -24.86 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.802 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.1 -30.06 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.769 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.7 mp -82.33 -58.34 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.615 HD12 ' CG2' ' A' ' 39' ' ' THR . 44.7 mt -45.67 -45.89 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 t -54.75 -42.89 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.399 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.93 -32.67 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.007 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.679 HG22 ' CB ' ' A' ' 81' ' ' MET . 53.1 t -65.15 -42.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.45 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.71 99.67 11.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.77 -27.79 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.34 -27.99 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.14 53.54 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.344 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 p -110.96 -24.85 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.278 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.64 -7.46 76.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.496 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -105.03 150.53 24.88 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.882 0.372 . . . . 0.0 110.709 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.419 HG12 HG11 ' A' ' 65' ' ' VAL . 44.0 mt -107.62 115.12 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.441 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -174.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.89 -78.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 7' ' ' GLN . 12.7 mm-40 -61.02 -26.84 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.1 mt-10 -52.87 -25.08 10.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.311 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 20.6 t80 -68.21 -15.35 63.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.365 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.779 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.7 mp -95.33 -42.31 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.759 0.314 . . . . 0.0 110.448 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.673 HG21 ' CG ' ' A' ' 6' ' ' GLN . 7.8 p -66.38 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.679 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.6 ptm -49.48 -42.55 43.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.593 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.1 OUTLIER -85.78 -23.78 27.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 79' ' ' LEU . 94.0 t -68.39 -38.14 78.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.977 0.418 . . . . 0.0 110.06 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -65.63 -24.87 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.774 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -99.3 -25.01 14.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.432 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 5.8 mtt -72.31 -39.3 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.585 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.03 0.443 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.655 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -80.43 0.46 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.898 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.85 -29.55 0.82 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.0 -66.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.735 ' CE ' HD12 ' B' ' 122' ' ' LEU . 2.5 ttp -56.13 -34.03 65.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.081 0.467 . . . . 0.0 109.879 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.735 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.7 mp -65.92 -40.99 91.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.068 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.64 14.17 14.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.023 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -78.51 -75.02 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.463 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.561 HD13 ' HG3' ' A' ' 28' ' ' MET . 6.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.464 ' CG ' HG21 ' A' ' 80' ' ' VAL . 7.6 pt20 . . . . . 0 CA--C 1.528 0.107 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -76.62 -21.56 55.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.94 -50.6 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.85 -37.47 71.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.074 0.464 . . . . 0.0 110.11 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.746 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -45.37 -56.77 4.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.394 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.98 -26.01 13.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.43 18.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.254 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -24.95 59.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.039 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -112.24 171.09 7.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.29 160.71 17.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -27.49 7.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.241 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.52 -54.01 50.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.739 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.08 -27.57 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.936 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mt -74.66 -63.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.741 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 -26.3 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.191 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 23.4 mt-10 -90.26 -30.94 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.903 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.689 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -60.27 -33.48 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 179.078 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -79.44 -8.25 58.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.851 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.959 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.8 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -76.48 -2.73 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.316 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -46.44 -28.85 1.49 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.735 0.302 . . . . 0.0 111.538 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.77 -57.2 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.45 -28.28 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.761 ' HE1' HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.71 -75.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -52.35 118.55 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 -48.43 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.869 179.778 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 66.0 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.865 0.364 . . . . 0.0 111.075 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.617 HD13 ' CD1' ' A' ' 29' ' ' PHE . 92.5 mt -100.3 120.25 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.23 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 p -106.78 -164.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.694 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.714 HG23 HD12 ' A' ' 62' ' ' ILE . 2.5 p -67.1 -28.63 68.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.172 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -81.26 -38.16 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.212 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.71 -16.63 63.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -83.82 -62.24 1.62 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.63 0.252 . . . . 0.0 111.085 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.32 -28.57 4.64 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.682 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -59.29 -75.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.919 0.39 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.3 p -63.89 -25.14 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.933 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -77.51 -32.48 54.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.41 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -83.71 -31.14 26.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.292 . . . . 0.0 111.439 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.479 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -90.15 10.09 25.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.102 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.8 mt -119.27 -38.55 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.349 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.55 -32.41 0.63 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.01 159.49 30.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.734 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 12.1 t-20 -144.24 51.08 1.39 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.43 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.746 ' CG ' HD21 ' A' ' 58' ' ' LEU . 59.7 Cg_endo -71.74 107.98 2.32 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.503 2.135 . . . . 0.0 112.128 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 p -56.36 -178.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.51 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.07 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.771 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -59.15 5.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.746 HD21 ' CG ' ' A' ' 53' ' ' PRO . 11.9 mt -70.26 -36.09 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.744 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.65 -25.49 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.07 -32.09 59.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.3 -60.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 39' ' ' THR . 36.6 mt -43.17 -43.74 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.164 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.44 -41.56 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.32 -36.22 61.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.135 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 81' ' ' MET . 78.2 t -65.09 -56.25 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.91 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -81.43 -30.18 33.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.74 51.04 1.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.72 -25.05 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 0.0 111.187 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.21 0.31 85.86 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.559 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 38.7 p -111.65 144.18 41.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 77' ' ' GLU . 33.3 mt -102.84 118.84 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -168.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -61.12 -73.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.8 mm-40 -65.12 -28.03 69.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.592 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.597 ' HA ' HG12 ' A' ' 80' ' ' VAL . 5.4 mt-10 -52.1 -27.35 13.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.516 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 11.2 t80 -64.61 -16.04 62.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.157 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.1 mp -95.61 -49.35 5.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.2 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 77' ' ' GLU . 8.5 p -60.02 -30.56 45.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.0 OUTLIER -52.77 -42.17 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.765 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 2.2 mtp -86.69 -25.61 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 79' ' ' LEU . 75.9 t -61.47 -34.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.084 0.468 . . . . 0.0 110.135 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -73.12 -14.54 61.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.084 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.461 ' NE2' HG23 ' A' ' 61' ' ' ILE . 17.7 mt-30 -105.54 -22.39 13.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.874 0.369 . . . . 0.0 110.579 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.414 ' CE ' ' CD2' ' A' ' 14' ' ' LEU . 9.2 mtt -78.34 -47.07 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.861 0.363 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.765 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -86.81 5.34 37.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.838 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.409 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 19.3 t70 -51.55 -26.77 9.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.869 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.741 ' CE ' HD12 ' B' ' 122' ' ' LEU . 1.2 ttp -54.3 -33.61 59.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 109.961 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.741 HD12 ' CE ' ' B' ' 121' ' ' MET . 7.5 mp -65.67 -39.31 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.338 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -90.29 12.75 17.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.102 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -79.34 -69.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.859 0.361 . . . . 0.0 111.458 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.594 HD11 HG23 ' A' ' 45' ' ' VAL . 8.5 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.372 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.664 ' CD ' HG21 ' A' ' 80' ' ' VAL . 5.3 pt20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.452 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.99 -32.8 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.07 15.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.83 -35.44 68.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.851 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -46.99 -58.57 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.405 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -52.59 -27.07 15.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.84 -19.47 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.252 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -25.63 61.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.988 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.501 HD22 ' HE1' ' A' ' 86' ' ' MET . 7.4 mt -112.11 165.63 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 160.51 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.678 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -50.04 -28.11 6.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.082 0.468 . . . . 0.0 110.188 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.11 -54.92 38.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.658 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -18.99 60.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.21 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.5 mt -82.56 -63.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.917 0.389 . . . . 0.0 110.75 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.84 -26.34 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -86.45 -32.8 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.104 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -33.61 72.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.753 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 6.3 tptp -74.3 -15.91 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.722 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.7 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.315 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.864 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -76.52 -0.91 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -50.59 -29.29 10.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.762 0.315 . . . . 0.0 111.376 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.19 -62.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.989 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtm -57.26 -26.9 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' HG11 ' A' ' 45' ' ' VAL . 2.1 m-85 -55.83 -69.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -59.08 119.72 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.83 -51.05 5.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.877 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.857 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.902 0.382 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.488 HD13 ' CG ' ' A' ' 29' ' ' PHE . 79.6 mt -97.97 125.87 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.139 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.87 -164.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.705 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.942 HG22 HD12 ' A' ' 62' ' ' ILE . 57.6 p -70.11 -37.51 75.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -73.43 -35.94 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.23 -24.18 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -79.14 -56.95 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.331 -179.558 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.88 -27.69 6.69 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.822 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.64 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.13 0.49 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.864 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.5 p -61.38 -28.69 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.988 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -32.73 62.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.624 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -83.03 -28.1 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 111.412 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.576 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -93.02 10.19 32.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.497 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.09 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.9 mt -119.19 -39.97 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.04 -39.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.637 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -67.96 156.95 36.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 4.1 t-20 -144.14 48.88 0.95 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HG2' HD21 ' A' ' 58' ' ' LEU . 58.3 Cg_endo -71.69 116.89 4.88 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.41 2.073 . . . . 0.0 112.228 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.6 p -58.38 179.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.12 78.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.45 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -60.38 -64.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' A' ' 53' ' ' PRO . 4.7 mt -62.91 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.545 ' OD1' HG21 ' A' ' 39' ' ' THR . 4.4 m-20 -64.69 -28.13 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.54 61.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.2 mp -79.9 -60.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.338 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.942 HD12 HG22 ' A' ' 39' ' ' THR . 39.3 mt -44.63 -44.65 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.84 -38.0 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -78.4 -33.38 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.158 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 81' ' ' MET . 72.8 t -68.03 -54.69 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.62 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.57 112.87 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -99.08 28.39 4.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -149.16 22.1 0.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.43 48.19 55.2 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.697 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -27.75 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 66.95 14.55 63.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.59 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 p -116.38 144.7 43.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 49.9 mt -103.6 108.04 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.247 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.82 -167.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.29 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.5 mp0 -65.57 -21.24 66.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.4 mt-10 -52.57 -26.93 14.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.524 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 35.9 t80 -70.11 -14.42 62.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.88 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 mp -95.07 -32.36 13.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.664 HG21 ' CD ' ' A' ' 6' ' ' GLN . 6.0 p -79.03 -29.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.524 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.8 ptm -53.11 -41.09 64.67 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.547 0.689 . . . . 0.0 110.09 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.856 ' HE3' ' HB3' ' B' ' 118' ' ' ALA . 5.3 mtt -78.21 -33.18 50.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.627 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 79' ' ' LEU . 52.9 t -67.38 -22.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.965 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -16.84 49.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -108.9 -35.55 6.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.97 0.414 . . . . 0.0 110.481 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.529 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 7.0 mtt -60.27 -58.95 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HD3' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.856 ' HB3' ' HE3' ' A' ' 82' ' ' MET . . . -79.04 0.73 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.395 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -47.23 -27.47 1.52 Allowed 'General case' 0 CA--C 1.528 0.101 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.05 -67.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.811 0.338 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.705 ' HG3' HD12 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -54.61 -32.25 58.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.653 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.58 -37.85 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.266 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.16 0.65 57.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.009 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.09 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -66.86 -71.91 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.878 0.37 . . . . 0.0 111.691 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.666 HD11 HG23 ' A' ' 45' ' ' VAL . 7.0 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.285 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.712 0.291 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.471 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.33 -34.17 74.83 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 110.578 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -52.88 16.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.829 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.42 -35.04 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -49.65 -57.61 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.096 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -26.64 15.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.837 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.51 19.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.269 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.67 -27.15 60.29 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.837 0.351 . . . . 0.0 111.023 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.62 167.31 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 162.61 18.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -50.35 -27.21 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.1 0.476 . . . . 0.0 110.207 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -59.53 -60.13 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.779 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.428 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.27 -24.19 10.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.14 -63.66 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.745 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.93 -26.88 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.992 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 16.8 mt-10 -88.9 -27.96 20.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.046 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -63.9 -42.77 97.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.125 179.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -69.21 -14.7 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.852 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -48.75 -68.76 0.15 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.026 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -80.91 -2.43 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.424 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 18.1 t80 -53.82 -24.84 16.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -83.52 -61.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.403 ' HG3' HD13 ' B' ' 125' ' ' LEU . 4.1 mmt -54.83 -27.28 40.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 45' ' ' VAL . 3.2 m-85 -57.69 -75.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -55.81 119.82 6.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.163 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.62 -51.87 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.843 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.767 179.796 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 32.3 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.819 0.343 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 70.4 mt -93.98 122.32 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 p -107.0 -164.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.645 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.843 HG22 HD12 ' A' ' 62' ' ' ILE . 68.4 p -68.17 -30.37 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.066 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.78 -40.66 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.22 -24.94 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.812 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.07 -51.17 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.232 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.75 -20.23 39.05 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.616 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.5 m -65.6 -79.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.992 0.425 . . . . 0.0 111.254 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.642 ' N ' HG22 ' A' ' 44' ' ' THR . 3.2 p -56.5 -38.75 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.169 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.487 ' SD ' ' HE2' ' B' ' 121' ' ' MET . 2.5 mmt -65.07 -24.43 67.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.625 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -88.96 -28.99 19.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.547 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.05 10.13 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.528 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.038 HD22 ' HB1' ' B' ' 124' ' ' ALA . 34.7 mt -115.96 -40.28 3.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.359 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.14 -34.79 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.364 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.9 168.9 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.711 0.291 . . . . 0.0 110.564 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 1.7 t30 -144.19 44.93 0.5 Allowed Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 52' ' ' ASN . 52.1 Cg_exo -52.44 107.83 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 121.92 1.747 . . . . 0.0 112.068 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -60.41 167.88 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -57.03 -28.49 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 p -85.95 -33.32 21.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 61' ' ' ILE . 17.6 mt-10 -58.25 -60.19 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mt -63.72 -32.48 73.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.669 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.95 -25.23 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.688 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.37 -33.03 37.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mp -78.64 -57.39 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.441 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.843 HD12 HG22 ' A' ' 39' ' ' THR . 52.3 mt -46.88 -45.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.27 -34.06 71.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -82.65 -33.31 27.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.223 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.3 t -68.1 -49.69 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.98 117.65 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.088 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -102.7 28.03 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -148.6 21.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.07 56.9 12.39 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.73 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -119.58 -35.44 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 79.1 4.9 89.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.634 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.426 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.6 p -110.19 144.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.549 HG21 ' HD1' ' A' ' 78' ' ' PHE . 34.0 mt -105.21 119.0 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.366 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.42 -169.2 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.84 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 79' ' ' LEU . 13.4 mp0 -60.82 -29.11 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.711 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.8 mt-10 -53.23 -26.41 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.549 ' HD1' HG21 ' A' ' 73' ' ' ILE . 19.3 t80 -71.59 -11.98 61.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.096 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 76' ' ' GLU . 1.2 mp -95.54 -45.49 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 110.048 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.471 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.4 p -62.2 -30.3 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.917 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.508 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 2.1 ptm -53.57 -42.74 67.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.155 0.502 . . . . 0.0 110.381 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.912 ' HE3' HD21 ' B' ' 122' ' ' LEU . 3.2 ttm -80.08 -28.91 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 79' ' ' LEU . 73.5 t -63.41 -30.86 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.551 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -77.26 -18.48 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -108.12 -14.61 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.523 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.4 mtm -81.98 -56.58 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HD3' HG12 ' A' ' 83' ' ' VAL . 6.4 ptmt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.457 -0.114 0 CA-C-O 120.894 0.378 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.602 ' HB3' ' HE1' ' A' ' 82' ' ' MET . . . -76.95 -5.65 49.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.798 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 123' ' ' ARG . 28.4 t70 -42.79 -27.92 0.21 Allowed 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.93 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.56 -66.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.619 0.247 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.487 ' HE2' ' SD ' ' A' ' 46' ' ' MET . 0.1 OUTLIER -55.26 -39.85 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.912 HD21 ' HE3' ' A' ' 82' ' ' MET . 7.6 mp -60.34 -32.61 71.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.07 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.402 ' N ' ' O ' ' B' ' 119' ' ' ASP . 16.7 ttt85 -90.13 -19.83 23.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.038 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -56.94 -69.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 25' ' ' ALA . 9.0 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.902 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 . . . . . 0 N--CA 1.462 0.133 0 CA-C-O 120.737 0.303 . . . . 0.0 111.297 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 2.3 mp0 -64.64 -17.3 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.3 -50.55 5.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.26 -43.05 87.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.444 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.928 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.66 -57.78 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.532 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.674 ' HA ' HD22 ' A' ' 79' ' ' LEU . 2.9 mtt180 -52.81 -29.3 26.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.02 21.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.174 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.27 -19.75 63.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.07 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.596 HD12 HD23 ' A' ' 79' ' ' LEU . 9.9 mt -116.28 163.55 15.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.63 163.64 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -50.04 -27.76 6.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -58.62 7.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.641 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.411 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -58.41 -21.63 51.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 11' ' ' ARG . 57.1 mt -82.09 -64.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.05 -26.32 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 27.6 mt-10 -87.63 -30.95 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.166 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.2 -35.29 76.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.874 179.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tptt -78.61 -9.18 59.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.84 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.96 -72.2 0.06 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.017 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -79.58 -0.93 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 12.5 t80 -52.75 -25.14 10.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.681 0.276 . . . . 0.0 111.48 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.27 -65.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -26.46 23.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CE1' HG11 ' A' ' 45' ' ' VAL . 1.5 m-85 -55.85 -70.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -57.16 119.58 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.31 -51.51 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.968 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.921 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 94.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.917 0.389 . . . . 0.0 111.001 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 41' ' ' GLU . 79.3 mt -101.42 129.92 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -111.66 -164.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.755 HG21 ' OD1' ' A' ' 59' ' ' ASP . 66.9 p -70.22 -23.88 63.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.21 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -37.56 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.203 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HB2' HG23 ' A' ' 37' ' ' ILE . 9.8 mt-10 -64.49 -18.02 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.48 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -81.25 -57.33 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.256 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.48 -26.8 5.39 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.676 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.5 m -58.72 -79.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.706 HG22 HD12 ' A' ' 49' ' ' LEU . 6.2 p -60.02 -32.67 50.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.973 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 mmt -68.49 -32.09 71.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -83.32 -28.51 28.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 111.563 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.586 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -94.12 10.29 34.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.566 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.977 HD22 ' HB1' ' B' ' 124' ' ' ALA . 22.5 mt -118.71 -40.93 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.52 -36.32 0.43 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -67.91 163.54 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 9.5 t30 -144.22 46.67 0.66 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.784 ' HG2' HD21 ' A' ' 58' ' ' LEU . 98.2 Cg_endo -77.63 107.66 2.42 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.238 1.959 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -60.54 178.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -56.45 -32.64 65.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -73.79 -44.18 56.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 61' ' ' ILE . 14.3 mm-40 -56.85 -45.82 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.784 HD21 ' HG2' ' A' ' 53' ' ' PRO . 1.2 mt -78.76 -22.63 46.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.755 ' OD1' HG21 ' A' ' 39' ' ' THR . 1.8 m-20 -71.99 -27.88 63.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.997 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.51 56.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.37 -59.66 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.736 HD12 HG22 ' A' ' 39' ' ' THR . 51.8 mt -44.75 -47.92 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.38 -34.01 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -83.68 -32.83 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.969 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 81' ' ' MET . 39.8 t -64.4 -50.67 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.5 103.0 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -71.53 -26.36 62.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.88 -26.59 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 56.77 1.54 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 -15.55 12.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.63 0.253 . . . . 0.0 111.465 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.55 4.17 69.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.229 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.45 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.2 p -114.57 138.79 50.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.831 0.348 . . . . 0.0 110.742 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.7 mt -98.85 110.48 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.479 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -170.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.09 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.7 mm-40 -65.63 -20.21 66.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.69 -22.83 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.218 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 24.9 t80 -70.98 -9.59 58.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.694 0.283 . . . . 0.0 111.003 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.896 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -95.42 -39.75 9.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 109.984 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.928 HG22 ' HB2' ' A' ' 10' ' ' ALA . 43.5 t -65.81 -32.73 59.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.699 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.581 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.2 ptm -52.93 -41.55 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.75 ' CE ' HD21 ' B' ' 122' ' ' LEU . 4.0 ttm -84.7 -30.49 24.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.498 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 79' ' ' LEU . 96.3 t -63.04 -37.92 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -15.94 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.382 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -109.3 -24.57 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.558 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 7.4 mtt -73.79 -44.89 54.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.823 179.778 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.0 p . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.955 0.407 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.533 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -67.62 -10.83 55.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.501 ' HA ' HD22 ' B' ' 122' ' ' LEU . 24.8 t70 -41.22 -28.13 0.09 Allowed 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.09 -61.01 2.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.432 ' HG3' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -58.44 -37.16 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.063 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.75 HD21 ' CE ' ' A' ' 82' ' ' MET . 5.2 mp -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.07 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 13.91 14.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.977 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -86.4 -72.39 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.515 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 25' ' ' ALA . 6.3 mt . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.632 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.631 ' HG3' HG21 ' A' ' 80' ' ' VAL . 13.8 pt20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.445 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -73.1 -18.98 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.58 -49.22 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.96 -37.15 73.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 0.0 109.773 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.46 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -46.97 -57.31 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.312 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.27 -25.92 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.849 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.12 19.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -27.16 52.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.972 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.509 HD22 ' HE1' ' A' ' 86' ' ' MET . 13.9 mt -105.23 154.59 20.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.1 161.23 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.617 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.95 -27.94 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -61.73 -53.74 52.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.645 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -21.99 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -80.92 -64.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.978 0.418 . . . . 0.0 110.643 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -25.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -87.75 -32.69 18.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.147 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.24 -33.47 72.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.904 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -74.98 -17.26 60.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.93 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.23 -74.04 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.19 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.74 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -75.82 -3.52 35.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.454 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 43.9 t80 -52.36 -27.09 14.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.78 -61.09 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mmt -57.68 -28.28 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE1' HG11 ' A' ' 45' ' ' VAL . 3.0 m-85 -57.01 -74.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -55.42 119.15 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.158 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.9 -46.97 6.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.981 179.826 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 52.3 m-20 . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 41' ' ' GLU . 51.2 mt -123.34 129.48 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.59 -163.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' HD12 ' A' ' 62' ' ' ILE . 3.3 p -65.21 -27.17 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -80.87 -49.86 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.155 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HB2' HG23 ' A' ' 37' ' ' ILE . 8.9 mt-10 -55.88 -22.73 27.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.374 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.561 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.43 -43.91 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.712 0.291 . . . . 0.0 111.124 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.66 -9.98 53.18 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.808 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -78.46 -75.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.49 . . . . 0.0 111.232 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.74 HG21 ' CB ' ' A' ' 25' ' ' ALA . 5.9 p -58.48 -37.53 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.301 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 2.4 mtp -68.25 -30.2 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -81.3 -29.88 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.515 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -94.11 10.18 34.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.531 -179.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.042 HD22 ' HB1' ' B' ' 124' ' ' ALA . 20.1 mt -117.85 -40.42 3.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.59 -39.23 0.36 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.627 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.95 160.39 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.727 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 t30 -144.19 51.13 1.41 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HG2' HD21 ' A' ' 58' ' ' LEU . 61.5 Cg_endo -73.77 108.4 2.63 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.458 2.106 . . . . 0.0 112.158 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.78 -177.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -55.23 37.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 p -58.98 -31.66 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -61.62 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.666 HD21 ' HG2' ' A' ' 53' ' ' PRO . 8.1 mt -67.32 -32.82 74.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -65.03 -27.53 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.11 62.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 110.726 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.4 mp -80.5 -60.05 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.336 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.489 HD12 ' CG2' ' A' ' 39' ' ' THR . 41.9 mt -45.63 -39.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.8 -40.36 97.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.649 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -37.99 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' A' ' 81' ' ' MET . 60.0 t -66.12 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.35 92.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.035 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.94 -29.89 68.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.84 -28.2 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.42 58.19 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -115.7 -30.21 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.82 -8.17 80.34 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.351 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 55.1 p -104.82 128.36 52.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.414 HD12 HG22 ' A' ' 37' ' ' ILE . 22.3 mt -90.59 107.84 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -65.25 -79.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.597 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.2 mm-40 -61.24 -22.76 65.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.2 mt-10 -52.74 -29.63 28.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.597 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.9 t80 -67.2 -14.7 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.743 0.306 . . . . 0.0 110.752 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -92.73 -40.98 10.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.604 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.631 HG21 ' HG3' ' A' ' 6' ' ' GLN . 6.8 p -69.18 -37.42 76.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.62 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.1 ptm -49.04 -41.35 34.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.681 0.753 . . . . 0.0 110.201 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.931 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 32.9 mtp -75.6 -30.54 59.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.772 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 79' ' ' LEU . 50.4 t -69.37 -31.41 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.677 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -22.39 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -106.04 -20.43 13.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.509 ' HE1' HD22 ' A' ' 14' ' ' LEU . 6.2 mtm -75.8 -40.37 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.457 ' HD3' HG12 ' A' ' 83' ' ' VAL . 2.1 mtpp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.6 p . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.898 0.38 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.931 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -81.36 -0.39 41.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.03 -26.51 2.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.183 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.69 -69.54 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.715 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.7 OUTLIER -54.03 -32.4 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 110.194 179.318 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.715 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.87 -39.24 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.278 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 39.0 ttp85 -90.2 10.64 23.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.042 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.35 -70.34 0.48 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.98 0.419 . . . . 0.0 111.345 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.538 HD11 HG23 ' A' ' 45' ' ' VAL . 8.1 mt . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.322 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.527 ' CD ' HG21 ' A' ' 80' ' ' VAL . 3.9 pt20 . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.448 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.6 mt-30 -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.31 -50.06 10.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.2 mt-10 -57.08 -37.12 71.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 109.855 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.66 -61.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.386 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -51.53 -26.98 9.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.62 -22.2 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.13 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.1 t80 -77.24 -27.03 53.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.71 153.43 21.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 161.3 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -27.29 5.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.055 0.455 . . . . 0.0 110.224 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -61.03 -57.41 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.767 179.53 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.438 ' HG2' ' HE1' ' A' ' 86' ' ' MET . 0.1 OUTLIER -54.94 -22.43 14.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.332 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.9 mt -80.31 -63.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 110.797 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.97 -25.67 1.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.402 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 5.7 mm-40 -90.45 -30.82 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD2' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.76 -34.31 74.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.81 179.112 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 10.0 tptt -75.0 -13.14 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.734 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.85 -80.13 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.828 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -75.31 -6.48 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.512 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -46.17 -29.85 1.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.655 0.264 . . . . 0.0 111.53 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -82.07 -59.7 2.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.558 ' SD ' HD13 ' B' ' 125' ' ' LEU . 1.6 mpt? -59.26 -26.66 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.758 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -58.69 -71.42 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -53.86 118.29 3.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.65 -46.16 6.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.049 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.065 179.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.995 0.426 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 29' ' ' PHE . 96.8 mt -111.34 118.84 58.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.276 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -102.78 -162.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.729 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.877 HG22 HD12 ' A' ' 62' ' ' ILE . 76.3 p -69.58 -27.85 65.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.254 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -26.54 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.421 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -74.31 -21.52 59.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.44 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.786 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -79.29 -61.68 1.93 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.69 0.281 . . . . 0.0 111.081 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.29 -28.41 3.21 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.575 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.668 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.65 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.828 HG21 ' CB ' ' A' ' 25' ' ' ALA . 8.0 p -64.88 -25.08 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.814 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.04 -31.57 58.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.621 0.248 . . . . 0.0 111.334 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -83.79 -31.28 25.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.381 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.68 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -90.13 10.1 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.047 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.6 mt -118.83 -37.83 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.056 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.21 -34.26 0.66 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.652 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.98 157.25 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.795 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.9 t-20 -144.18 50.3 1.23 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.617 ' HG2' HD21 ' A' ' 58' ' ' LEU . 47.9 Cg_endo -68.35 107.85 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.461 2.107 . . . . 0.0 112.038 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 57' ' ' GLU . 1.7 t -54.34 173.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.001 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -23.76 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 54.3 m -83.57 -30.3 27.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 0.0 111.306 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.608 ' HG3' HG22 ' A' ' 54' ' ' THR . 3.7 mt-10 -66.45 -54.18 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.106 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.786 HD22 ' HB3' ' A' ' 42' ' ' LEU . 5.4 mt -71.4 -15.01 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.7 -29.39 27.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.831 0.348 . . . . 0.0 110.789 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.43 62.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mp -78.93 -64.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.877 HD12 HG22 ' A' ' 39' ' ' THR . 50.2 mt -44.77 -31.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.75 -41.26 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.31 -40.81 58.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.478 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.605 HG11 ' HB3' ' A' ' 81' ' ' MET . 46.2 t -63.85 -50.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.834 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -75.83 80.66 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.22 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.49 -28.59 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.54 58.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 p -116.43 -31.87 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.91 -10.33 74.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.406 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.7 p -104.96 138.8 40.62 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.882 0.372 . . . . 0.0 110.758 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 77' ' ' GLU . 36.1 mt -97.95 116.55 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.53 -171.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.16 -69.08 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.077 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 7' ' ' GLN . 13.7 mp0 -70.65 -25.33 62.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 81' ' ' MET . 11.2 mt-10 -51.49 -25.63 6.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.469 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.522 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 9.6 t80 -67.35 -14.22 62.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.125 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.4 mp -95.32 -44.96 7.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.284 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.527 HG21 ' CD ' ' A' ' 6' ' ' GLN . 9.0 p -64.51 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.605 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.1 ptm -53.94 -42.55 68.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.115 0.484 . . . . 0.0 110.252 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.681 ' CE ' HD21 ' B' ' 122' ' ' LEU . 3.7 ttm -79.74 -30.89 40.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 79' ' ' LEU . 87.7 t -61.53 -42.42 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -17.24 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.396 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -108.48 -23.9 11.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.448 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.9 mtm -74.68 -39.93 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.824 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.2 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.783 0.325 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.576 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -69.7 -10.96 60.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 42.9 t0 -43.29 -28.83 0.35 Allowed 'General case' 0 CA--C 1.527 0.059 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.671 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.36 -61.01 2.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.661 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.0 ttp -59.62 -33.3 71.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 109.9 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.681 HD21 ' CE ' ' A' ' 82' ' ' MET . 9.2 mp -66.61 -37.05 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.908 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -90.42 11.76 20.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.616 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.047 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -78.93 -68.36 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.012 0.434 . . . . 0.0 111.821 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 45' ' ' VAL . 10.9 mt . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.783 -178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.791 ' HG3' HG21 ' A' ' 80' ' ' VAL . 16.5 pt20 . . . . . 0 N--CA 1.462 0.127 0 CA-C-O 120.743 0.306 . . . . 0.0 111.256 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.434 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 3.6 mt-30 -69.87 -25.68 63.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.86 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.8 mm-40 -55.61 -37.05 67.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.174 0.511 . . . . 0.0 109.744 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.77 -57.29 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.181 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -27.84 17.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.027 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.17 -19.91 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.447 ' CD2' HG11 ' A' ' 83' ' ' VAL . 6.6 m-85 -74.83 -18.66 60.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.235 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.758 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -120.97 168.09 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.939 0.399 . . . . 0.0 111.013 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.53 162.06 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -27.76 6.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 0.0 110.215 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.1 -57.24 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.674 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.758 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.51 -20.82 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -81.01 -61.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.9 -27.08 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.267 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.442 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 16.2 mt-10 -88.68 -31.26 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.877 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.698 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -59.82 -34.56 73.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.142 179.182 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.962 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.11 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.655 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -71.77 -4.74 29.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.431 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.2 t80 -46.76 -28.33 1.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.69 0.281 . . . . 0.0 111.593 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.5 -56.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.489 ' HG3' HD13 ' B' ' 125' ' ' LEU . 1.2 mmt -58.37 -35.11 71.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.702 ' CD1' HD13 ' A' ' 37' ' ' ILE . 1.7 m-85 -54.51 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -58.17 119.02 6.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -50.98 5.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.724 179.828 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 97.2 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.702 HD13 ' CD1' ' A' ' 29' ' ' PHE . 81.1 mt -96.57 126.95 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.77 -164.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.734 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.915 HG22 HD12 ' A' ' 62' ' ' ILE . 51.3 p -66.86 -43.49 83.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.102 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.93 -41.76 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.51 -22.69 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.388 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.69 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -81.5 -60.33 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.043 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -46.29 -26.98 2.54 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.953 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.64 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.8 m -65.01 -80.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.434 . . . . 0.0 111.149 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.685 HG23 HD11 ' B' ' 125' ' ' LEU . 4.0 p -57.11 -36.22 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.15 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.623 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.59 -32.41 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 7.6 mtp-105 -84.64 -27.56 27.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.659 0.266 . . . . 0.0 111.689 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.679 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -92.82 10.17 32.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.63 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.031 HD22 ' HB1' ' B' ' 124' ' ' ALA . 15.2 mt -119.81 -39.93 2.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.698 0.285 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 161.3 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.8 t-20 -144.16 48.52 0.9 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.387 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.82 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.5 Cg_endo -75.62 107.84 2.56 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.434 2.09 . . . . 0.0 112.12 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -175.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HE3' HG21 ' A' ' 39' ' ' THR . 5.7 tptm -58.72 -39.53 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.58 -36.32 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 61' ' ' ILE . 4.8 mm-40 -62.51 -53.37 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.82 HD21 ' HG2' ' A' ' 53' ' ' PRO . 4.3 mt -70.82 -28.42 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.14 -26.17 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.18 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.9 mp -83.03 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.915 HD12 HG22 ' A' ' 39' ' ' THR . 48.2 mt -43.23 -40.95 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.134 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.02 -45.9 91.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.62 -33.24 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 81' ' ' MET . 76.8 t -64.7 -48.2 85.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.565 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.8 119.14 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.043 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.24 -26.44 21.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -99.3 20.23 14.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.46 53.44 20.41 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.662 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.73 -18.36 13.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.25 . . . . 0.0 111.329 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.41 11.46 62.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.358 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.462 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 56.5 p -117.23 148.28 41.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 77' ' ' GLU . 24.3 mt -115.55 110.1 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.488 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -73.31 -167.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.756 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.95 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.722 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.26 -30.03 61.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.731 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.623 ' HB3' HG23 ' A' ' 73' ' ' ILE . 5.2 mt-10 -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.361 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.553 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.8 t80 -64.26 -15.81 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.378 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 mp -95.5 -44.75 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 110.411 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.791 HG21 ' HG3' ' A' ' 6' ' ' GLN . 8.5 p -64.32 -32.51 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.655 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.636 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -50.77 -42.77 58.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.746 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.2 OUTLIER -86.55 -24.78 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.075 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.94 HG13 ' HE2' ' A' ' 87' ' ' LYS . 91.9 t -65.64 -39.35 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.978 0.418 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -69.65 -16.0 63.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -103.47 -30.92 10.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.37 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.514 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 8.0 mtt -67.93 -56.1 10.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.693 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.94 ' HE2' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.746 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -82.47 4.83 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.643 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -45.14 -28.85 0.8 Allowed 'General case' 0 C--N 1.338 0.082 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.893 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.38 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.695 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.768 ' HG3' HD12 ' A' ' 49' ' ' LEU . 11.3 ttp -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 109.825 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.698 HD21 ' CE1' ' A' ' 22' ' ' PHE . 9.4 mp -64.94 -36.15 83.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.205 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -90.75 12.81 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.031 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -84.67 -70.15 0.6 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.89 0.376 . . . . 0.0 111.869 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 45' ' ' VAL . 7.3 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.863 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.598 ' NE2' HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.687 0.28 . . . . 0.0 111.357 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.07 -9.2 59.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.247 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.41 -50.92 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.318 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -54.89 -42.89 72.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.258 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.987 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -43.88 -57.48 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.439 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.666 ' HA ' HD22 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -53.88 -25.7 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.794 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.04 -19.69 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CE1' ' HD2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -69.44 -12.96 62.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.288 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.815 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -126.73 167.6 15.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.48 160.63 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.83 -27.96 5.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.19 0.519 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.98 -53.71 51.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.597 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.815 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.47 -22.1 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.078 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 11' ' ' ARG . 60.9 mt -78.36 -64.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.709 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.21 -27.42 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.15 -32.42 18.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.389 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.746 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -60.59 -34.79 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.266 179.373 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 9.0 tmtt? -78.93 -11.52 60.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.115 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -42.44 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.8 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -70.62 -6.6 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.286 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 39.6 t80 -43.66 -30.42 0.62 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.712 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.04 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.508 ' HG3' HD13 ' B' ' 125' ' ' LEU . 4.4 mmm -57.68 -28.35 63.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.762 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -58.17 -74.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -55.01 119.06 4.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.854 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' A' ' 29' ' ' PHE . 85.9 mt -98.41 116.13 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.26 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -97.61 -163.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.682 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.688 HG22 HD12 ' A' ' 62' ' ' ILE . 23.6 p -67.24 -38.74 85.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.242 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.97 63.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.96 -22.46 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.799 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -80.56 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 111.032 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.17 -29.22 4.74 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.602 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.686 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -58.07 -78.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.4 p -61.81 -27.11 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.916 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.93 -32.4 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.566 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -85.76 -28.43 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.649 0.261 . . . . 0.0 111.353 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.512 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -91.69 10.2 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.506 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.021 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.6 mt -120.1 -40.54 2.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.769 0.318 . . . . 0.0 110.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -35.52 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.66 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.95 158.42 32.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t-20 -144.23 50.57 1.28 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HG2' HD21 ' A' ' 58' ' ' LEU . 59.9 Cg_endo -72.25 113.57 3.74 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.472 2.114 . . . . 0.0 112.272 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -57.02 -170.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.439 ' H ' HG22 ' A' ' 54' ' ' THR . 13.1 tptt -65.8 -54.67 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -34.19 68.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.33 -59.71 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 42' ' ' LEU . 6.2 mt -67.21 -31.23 71.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.03 -24.98 62.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.98 -33.95 57.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 110.739 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.8 mp -76.64 -60.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.688 HD12 HG22 ' A' ' 39' ' ' THR . 48.2 mt -43.96 -49.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -36.07 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.342 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -33.93 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.745 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 81' ' ' MET . 86.3 t -65.29 -58.43 7.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.311 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.68 114.85 4.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.232 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -89.16 -23.04 22.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -102.45 18.98 19.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 50.69 56.86 11.96 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.54 -18.93 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.562 0.22 . . . . 0.0 111.321 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.16 8.67 62.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.308 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 p -121.92 146.55 47.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.915 0.388 . . . . 0.0 110.752 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.489 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.5 mt -103.82 118.77 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.294 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -168.72 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -61.48 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.63 -24.57 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.9 mt-10 -53.65 -25.12 16.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.171 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.485 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 19.0 t80 -62.91 -16.01 57.43 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.758 0.313 . . . . 0.0 110.938 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.938 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 mp -95.25 -38.91 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 109.919 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.987 HG22 ' HB2' ' A' ' 10' ' ' ALA . 25.1 t -67.75 -37.37 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.836 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.716 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.0 ptm -45.48 -38.64 6.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.666 0.745 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.63 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 1.1 mmm -92.82 -27.97 16.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.36 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 79' ' ' LEU . 99.8 t -65.8 -42.07 91.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.874 0.368 . . . . 0.0 110.609 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.559 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.56 -27.18 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.211 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.85 12.6 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.417 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.558 ' CE ' HD21 ' A' ' 14' ' ' LEU . 2.5 mtt -103.91 -46.95 4.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.314 . . . . 0.0 110.7 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 2.7 mtpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 121.043 0.449 . . . . 0.0 110.829 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.682 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -77.52 -1.97 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.964 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 22.5 t0 -45.06 -29.4 0.87 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.753 0.311 . . . . 0.0 110.939 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.54 -67.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.688 ' CE ' HD12 ' B' ' 122' ' ' LEU . 4.3 ttp -55.86 -34.61 65.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.183 0.516 . . . . 0.0 109.835 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.746 HD21 ' CE1' ' A' ' 22' ' ' PHE . 10.9 mp -64.56 -41.12 96.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.56 12.53 18.5 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.123 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.021 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.29 -73.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 111.411 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.574 HD11 HG23 ' A' ' 45' ' ' VAL . 7.1 mt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.397 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.682 ' CD ' HG21 ' A' ' 80' ' ' VAL . 4.0 pt20 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.486 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 2.2 mt-30 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.95 -48.66 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.759 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.8 mt-10 -52.58 -35.92 54.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.231 0.539 . . . . 0.0 109.751 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.54 -60.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.339 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HG3' HD22 ' A' ' 79' ' ' LEU . 4.4 ttp180 -51.65 -27.38 11.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.68 -21.18 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.195 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -76.23 -24.62 54.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD22 ' HE1' ' A' ' 86' ' ' MET . 14.1 mt -109.02 158.94 17.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.28 160.31 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.601 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.83 -27.79 5.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 0.0 110.163 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.63 16.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.744 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -21.19 47.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' PHE . 36.4 mt -80.66 -63.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.91 0.386 . . . . 0.0 110.724 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.37 -28.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.001 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 21.0 mt-10 -87.26 -33.92 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.985 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.07 -35.6 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.891 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -70.56 -21.43 62.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.893 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.03 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.464 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.869 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -77.08 -1.03 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 8.2 t80 -52.62 -25.45 10.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 111.48 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.91 -63.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.412 ' SD ' ' HE1' ' A' ' 48' ' ' MET . 11.6 mtt -56.83 -25.59 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 45' ' ' VAL . 1.5 m-85 -55.0 -66.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.59 120.31 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -50.71 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.911 0.386 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 78.6 mt -96.92 117.85 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -91.23 -164.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -66.27 -55.87 13.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.041 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -61.26 -36.06 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB3' HG23 ' A' ' 37' ' ' ILE . 10.8 mt-10 -56.59 -24.14 45.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.419 ' CD2' HG21 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -82.71 -57.03 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.24 -27.1 7.14 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.684 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -55.52 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 111.065 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.869 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.3 p -62.77 -26.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.781 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.07 -30.86 61.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 -28.83 21.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.639 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.7 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -91.23 10.05 28.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.564 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.999 HD22 ' HB1' ' B' ' 124' ' ' ALA . 18.4 mt -119.45 -39.93 2.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.5 -34.67 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.544 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.92 159.79 29.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.799 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.451 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 5.4 t-20 -144.23 50.32 1.23 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.736 ' CG ' HD21 ' A' ' 58' ' ' LEU . 72.1 Cg_endo -73.69 107.89 2.51 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.429 2.086 . . . . 0.0 112.11 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -57.66 -179.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.998 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 54' ' ' THR . 8.7 tptt -56.19 -46.89 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -31.3 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -60.35 -55.19 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' A' ' 53' ' ' PRO . 6.2 mt -73.38 -31.58 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.06 -27.02 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -29.9 57.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.78 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.522 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.6 mp -82.96 -60.78 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.374 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 39' ' ' THR . 41.7 mt -43.34 -43.63 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.1 t -56.67 -44.98 81.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.225 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.77 -32.18 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.994 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.589 HG22 ' CB ' ' A' ' 81' ' ' MET . 81.0 t -65.87 -46.55 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.473 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.79 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.078 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -27.54 62.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -82.6 -29.99 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.007 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.96 52.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.315 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.67 -26.47 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.25 -5.48 82.97 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.595 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 p -105.25 148.84 26.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.4 mt -105.33 112.31 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.37 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -169.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -58.31 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.8 mt-10 -68.0 -19.01 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.415 ' HG3' ' HG2' ' A' ' 7' ' ' GLN . 2.2 mt-10 -52.62 -27.01 15.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.512 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 25.1 t80 -72.35 -11.01 60.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.063 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -95.19 -35.67 11.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.808 0.337 . . . . 0.0 110.693 179.562 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 ' CD ' ' A' ' 6' ' ' GLN . 4.2 p -74.26 -32.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.589 ' CB ' HG22 ' A' ' 65' ' ' VAL . 2.9 ptm -50.93 -40.89 58.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.325 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.896 ' HE3' ' HB3' ' B' ' 118' ' ' ALA . 4.7 mtt -74.32 -37.7 63.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.882 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 79' ' ' LEU . 41.7 t -63.37 -37.86 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -19.66 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.257 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 81' ' ' MET . 1.9 mm-40 -110.03 -25.39 10.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.515 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtt -70.76 -34.11 71.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.577 ' HD3' HG12 ' A' ' 83' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 26.8 p . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.022 0.439 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.896 ' HB3' ' HE3' ' A' ' 82' ' ' MET . . . -77.87 0.64 23.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.294 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -44.78 -28.46 0.64 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.685 0.279 . . . . 0.0 111.29 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.53 -65.11 0.62 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.677 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.4 ttp -56.4 -35.25 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 0.0 110.059 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.542 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.0 mp -66.3 -36.87 84.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.177 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -90.26 11.87 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.999 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -79.72 -73.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 111.45 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.7 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.5 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.379 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.83 0.348 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -73.91 -12.93 60.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.12 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.15 -49.99 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.33 -41.73 69.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -43.32 -61.19 1.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.528 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.491 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.3 ttp180 -52.11 -26.17 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.75 -20.75 20.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.239 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 67.3 t80 -67.34 -32.62 73.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD21 ' CE ' ' A' ' 86' ' ' MET . 4.6 mt -107.0 164.95 11.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 160.39 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -27.77 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 110.041 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.8 mm-40 -63.34 -63.37 1.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.644 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -23.74 9.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 11' ' ' ARG . 44.7 mt -75.33 -60.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.081 0.467 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.15 -24.51 10.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.46 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -86.58 -34.11 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.194 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.36 -34.5 76.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.227 179.537 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -71.2 -17.87 62.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.34 179.151 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -48.05 -70.93 0.08 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.82 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -66.72 -10.27 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.148 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.7 t80 -49.65 -28.64 6.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -76.72 -60.75 2.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.826 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.504 ' HG3' HD13 ' B' ' 125' ' ' LEU . 3.6 mmt -61.73 -29.06 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 2.6 m-85 -55.34 -63.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -68.37 119.7 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.29 -50.75 5.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.886 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 61.4 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.523 HD13 ' CG ' ' A' ' 29' ' ' PHE . 61.3 mt -91.04 117.64 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.05 -164.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.608 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -68.44 -45.76 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -67.71 -29.37 68.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.06 -25.85 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.245 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.604 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.94 -56.8 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 111.179 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.99 -26.22 26.43 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.4 m -58.01 -79.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.928 0.394 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.638 ' N ' HG22 ' A' ' 44' ' ' THR . 2.7 p -55.43 -26.42 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mmt -79.62 -29.65 41.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -87.03 -26.27 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.542 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.599 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -89.98 -11.97 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.478 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.641 HD22 ' HB1' ' B' ' 124' ' ' ALA . 30.6 mt -94.73 -50.13 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 111.184 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.31 -30.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.581 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -67.73 162.19 24.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.649 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -144.26 55.05 3.1 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.284 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.753 ' CG ' HD21 ' A' ' 58' ' ' LEU . 50.8 Cg_endo -67.83 107.94 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.471 2.114 . . . . 0.0 111.846 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.0 p -52.48 171.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.286 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -56.69 16.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -31.52 68.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.7 tt0 -58.63 -63.84 1.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 53' ' ' PRO . 5.7 mt -60.35 -30.48 69.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.768 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -26.57 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.1 -29.87 58.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.8 mp -80.49 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.298 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.608 HD12 ' CG2' ' A' ' 39' ' ' THR . 40.5 mt -44.71 -47.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -53.62 -37.03 62.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.274 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -83.48 -33.31 25.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.909 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.624 HG22 ' HA ' ' A' ' 81' ' ' MET . 90.2 t -64.18 -37.35 79.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.244 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.78 112.71 24.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -98.6 26.37 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -148.11 21.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.96 51.49 45.48 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.54 -24.91 9.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 111.353 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 63.79 15.96 58.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.416 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.437 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 69.4 p -125.16 140.04 53.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.492 HG12 HG11 ' A' ' 65' ' ' VAL . 25.0 mt -95.37 115.34 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.338 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.7 -166.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 73.3 m-85 -57.51 -84.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.525 ' O ' HD12 ' A' ' 79' ' ' LEU . 4.3 pm0 -67.11 -14.24 62.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.621 0.248 . . . . 0.0 111.202 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.24 -21.13 31.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 0.1 OUTLIER -68.76 -8.8 46.46 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.224 179.691 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.819 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.1 mt -95.76 -46.81 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.035 0.445 . . . . 0.0 109.834 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.778 HG22 ' HB2' ' A' ' 10' ' ' ALA . 23.7 t -58.49 -35.77 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.624 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.4 ptm -48.93 -40.19 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.455 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.733 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.4 OUTLIER -92.81 -28.58 16.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.003 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 79' ' ' LEU . 99.2 t -60.15 -40.35 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HG3' HG12 ' A' ' 80' ' ' VAL . 1.8 mtt-85 -69.73 -22.51 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -105.13 12.92 31.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.427 ' CE ' HD21 ' A' ' 14' ' ' LEU . 4.8 mtt -113.56 -43.93 3.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.735 ' HD2' HG12 ' A' ' 83' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.9 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.892 0.377 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.733 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -79.05 -0.55 31.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -43.05 -29.2 0.33 Allowed 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.467 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.46 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.045 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.491 ' HE3' ' HB3' ' B' ' 121' ' ' MET . 1.8 tmm? -53.4 -39.01 63.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.145 0.498 . . . . 0.0 109.895 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 118' ' ' ALA . 9.0 mp -61.15 -37.16 81.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.932 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -90.75 11.19 23.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.641 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -84.89 -75.74 0.34 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.963 0.411 . . . . 0.0 111.843 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.599 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.9 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.937 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 . . . . . 0 N--CA 1.462 0.151 0 CA-C-O 120.679 0.276 . . . . 0.0 111.471 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.465 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.08 -32.02 63.74 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.306 0.575 . . . . 0.0 110.378 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.45 -51.05 7.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.924 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.2 mm-40 -59.25 -40.53 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.913 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -44.22 -56.71 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.441 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.464 ' NH1' HD13 ' A' ' 19' ' ' ILE . 2.5 mtp85 -53.73 -26.04 21.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.91 -21.03 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CD2' HG11 ' A' ' 83' ' ' VAL . 2.8 m-85 -68.06 -28.33 67.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.819 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.82 169.64 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.55 161.48 20.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.601 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -50.44 -27.29 6.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 110.228 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -60.25 -60.22 4.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.805 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -24.13 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.219 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' NH1' ' A' ' 11' ' ' ARG . 78.9 mt -78.45 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.04 0.447 . . . . 0.0 110.634 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -24.21 13.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.356 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 1.8 mt-10 -89.0 -33.26 17.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.597 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -61.26 -33.08 72.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.652 178.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 13.8 tptt -70.4 -16.35 62.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -68.66 0.15 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.712 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -79.3 -0.67 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.163 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -45.15 -57.15 4.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.738 0.304 . . . . 0.0 111.655 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.83 -51.74 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.546 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 0.9 OUTLIER -57.25 -27.22 61.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CE1' HD22 ' A' ' 42' ' ' LEU . 3.1 m-85 -60.26 -75.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.86 119.0 6.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.25 -54.83 6.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 41' ' ' GLU . 54.8 mt -87.49 110.74 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -163.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.621 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -75.32 -35.93 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.958 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -80.01 -34.02 38.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.714 ' HB3' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -57.27 -38.21 73.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -69.09 -57.83 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.11 -27.62 15.38 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.745 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.79 -76.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.712 HG21 ' HB1' ' A' ' 25' ' ' ALA . 7.2 p -61.09 -25.8 37.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.524 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.85 -32.88 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.176 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -85.03 -26.81 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.699 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.607 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -94.1 10.06 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.969 HD22 ' HB1' ' B' ' 124' ' ' ALA . 15.1 mt -120.47 -42.41 2.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.667 0.27 . . . . 0.0 111.178 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.49 -40.54 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.665 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.76 162.19 24.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -144.26 48.74 0.92 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.453 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.835 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.5 Cg_endo -75.86 107.79 2.54 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.236 1.958 . . . . 0.0 112.022 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -59.9 -175.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.34 -34.06 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -78.34 -38.09 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.73 -49.42 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.835 HD21 ' HG2' ' A' ' 53' ' ' PRO . 1.4 mt -71.94 -24.08 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -29.17 68.15 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.741 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.54 -25.01 59.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.545 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.5 mp -88.35 -56.21 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.575 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.621 HD12 ' CG2' ' A' ' 39' ' ' THR . 31.0 mt -49.4 -41.62 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.951 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.45 -29.61 16.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -96.69 -33.48 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.185 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.62 HG22 ' CB ' ' A' ' 81' ' ' MET . 60.4 t -65.26 -47.19 88.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.667 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.554 ' OD2' HG22 ' A' ' 62' ' ' ILE . 7.1 m-20 -49.44 -45.91 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.04 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.45 ' CG ' ' O ' ' A' ' 66' ' ' ASP . 8.4 pt-20 46.27 28.9 0.75 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -165.64 -46.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.98 57.23 0.42 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.32 -23.52 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 111.397 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.68 -12.81 64.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.431 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -115.61 174.78 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 47.7 mt -118.59 116.38 51.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.528 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -60.14 -169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -68.77 -82.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.99 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 7' ' ' GLN . 3.5 mt-10 -53.31 -24.04 10.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.6 mt-10 -54.37 -31.16 54.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 75' ' ' PHE . 16.4 m-85 -56.52 -18.67 12.37 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.094 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.2 mp -95.13 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.141 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 10' ' ' ALA . 62.2 t -65.47 -35.03 74.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.62 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.8 ptm -47.75 -39.58 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.405 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.684 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 1.7 mmm -93.11 -24.36 18.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.613 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 79' ' ' LEU . 68.0 t -68.86 -28.85 41.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 0.0 110.512 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.44 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -78.45 -16.84 57.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -107.19 -31.18 8.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.025 0.441 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.413 ' HE2' ' CE ' ' A' ' 82' ' ' MET . 6.8 mtt -67.52 -62.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.961 0.41 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.684 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -81.67 -1.07 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -45.93 -28.69 1.19 Allowed 'General case' 0 N--CA 1.46 0.043 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.001 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.1 -58.65 5.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.702 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.1 ttp -60.79 -33.18 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 22' ' ' PHE . 8.5 mp -68.99 -36.45 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.38 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -90.56 12.57 18.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.996 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.969 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -83.42 -75.18 0.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.63 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.607 HD11 HG23 ' A' ' 45' ' ' VAL . 6.2 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.621 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.484 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -71.43 -13.24 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.36 -51.65 5.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.99 -43.98 82.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.843 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.68 -59.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.654 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.603 ' HG3' HD13 ' A' ' 79' ' ' LEU . 4.1 mtp180 -51.92 -26.81 11.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.96 -22.68 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -24.72 66.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.5 HD13 ' HG2' ' A' ' 18' ' ' MET . 5.0 mt -112.63 173.39 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 111.004 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 163.28 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.646 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -50.02 -27.83 6.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.091 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.73 -56.99 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.5 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.58 -20.49 56.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.189 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -83.27 -64.46 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.898 0.38 . . . . 0.0 110.716 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.36 -25.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 18.8 mt-10 -89.8 -30.96 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.03 -33.17 72.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.89 179.14 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 15.7 tptm -77.54 -12.32 59.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.785 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.63 -78.74 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.694 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -70.31 -7.32 41.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.228 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.445 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 31.4 t80 -45.44 -28.9 0.97 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.704 0.287 . . . . 0.0 111.59 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.82 -60.0 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtt -59.0 -29.04 66.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.7 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.78 -71.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.06 119.08 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.156 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -47.01 6.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.892 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.891 179.857 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.792 0.33 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.496 HD13 ' CD1' ' A' ' 29' ' ' PHE . 82.1 mt -110.15 128.86 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.31 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 t -101.57 -163.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.7 HG22 HD12 ' A' ' 62' ' ' ILE . 18.1 p -73.37 -38.75 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -72.71 -30.74 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.085 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.48 ' CB ' HG23 ' A' ' 37' ' ' ILE . 1.8 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.7 HD22 ' HE1' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -77.43 -48.05 18.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.964 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -56.73 -16.27 16.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.827 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.643 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -74.3 -77.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.047 0.451 . . . . 0.0 111.36 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.694 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -60.04 -44.03 93.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.452 -178.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.437 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -61.14 -26.89 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 69.6 mtt180 -80.11 -42.84 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.504 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.613 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -82.83 5.66 20.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.04 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.998 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.9 mt -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.666 0.27 . . . . 0.0 111.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.57 -38.24 1.31 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.753 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.94 158.34 32.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.807 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.42 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 m120 -144.32 52.94 2.0 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.781 ' CG ' HD21 ' A' ' 58' ' ' LEU . 58.6 Cg_endo -71.2 109.42 2.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.564 2.176 . . . . 0.0 112.123 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.3 p -54.78 179.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -57.12 13.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.3 m -60.33 -29.3 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.729 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.47 -61.18 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.781 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.4 mt -67.53 -30.16 69.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.59 -26.59 65.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.09 53.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.735 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -81.94 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.7 HD12 HG22 ' A' ' 39' ' ' THR . 50.6 mt -44.28 -48.98 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -48.94 -29.25 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -92.31 -33.21 14.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.159 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.4 t -64.34 -46.78 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.74 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.23 -50.41 73.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.244 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.97 27.78 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.6 -45.2 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.72 53.9 0.44 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 p -117.42 -26.45 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.38 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.25 1.57 75.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.216 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 p -115.95 139.05 50.63 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.482 HG23 ' HB3' ' A' ' 77' ' ' GLU . 50.7 mt -99.51 123.16 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -167.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -66.72 -68.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.3 mt-10 -71.67 -20.62 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HB3' HG23 ' A' ' 73' ' ' ILE . 11.1 mt-10 -54.61 -23.81 18.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 t80 -71.4 -10.08 59.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.716 0.293 . . . . 0.0 110.963 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.603 HD13 ' HG3' ' A' ' 11' ' ' ARG . 1.3 mp -95.71 -44.52 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.843 HG22 ' HB2' ' A' ' 10' ' ' ALA . 24.1 t -60.75 -32.77 52.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.911 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.51 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.4 ptm -52.63 -40.16 62.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.325 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.737 ' HE1' HD11 ' B' ' 122' ' ' LEU . 5.4 ttm -84.8 -31.02 24.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 79' ' ' LEU . 88.5 t -59.17 -32.59 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -80.07 -11.09 59.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.011 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -106.92 -28.25 10.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.198 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.551 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 10.4 mtt -75.0 -54.07 7.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.952 0.406 . . . . 0.0 110.702 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.586 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -76.22 -1.07 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.261 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 28.0 t70 -49.33 -25.53 2.5 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.48 -62.38 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.679 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.8 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.0 109.793 178.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.737 HD11 ' HE1' ' A' ' 82' ' ' MET . 9.0 mp -66.64 -42.4 86.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.169 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.41 16.14 9.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.998 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -82.07 -71.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 111.43 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.613 HD21 ' HE1' ' A' ' 48' ' ' MET . 7.9 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.37 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.582 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -70.29 -20.74 63.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.53 -49.53 6.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 27.6 mt-10 -54.0 -41.8 68.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.837 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.13 -59.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.49 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HA ' HD22 ' A' ' 79' ' ' LEU . 6.3 mtp180 -53.39 -28.4 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.38 -18.87 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.341 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -72.1 -10.0 59.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.36 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.516 HD21 ' SD ' ' A' ' 86' ' ' MET . 2.2 mt -132.34 172.18 12.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.35 161.13 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.91 -26.6 10.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.37 -56.24 24.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.638 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -55.25 -25.8 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.9 mt -74.82 -61.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.008 0.432 . . . . 0.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.23 2.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 1.0 OUTLIER -88.83 -30.51 18.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.82 179.208 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' HD23 ' A' ' 79' ' ' LEU . 1.1 m-85 -59.51 -37.03 77.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.935 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 21.7 tptt -78.27 -9.06 59.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.203 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.06 -71.54 0.07 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.791 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -84.55 -0.75 54.29 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -40.9 -31.84 0.19 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -76.79 -65.49 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.265 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.17 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.399 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -57.85 -60.2 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.224 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -60.79 -18.83 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.617 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.96 -68.5 0.09 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.275 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 p-10 . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.614 HD13 ' CD1' ' A' ' 29' ' ' PHE . 54.6 mt -83.18 113.54 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.375 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -163.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.478 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.565 HG22 HD12 ' A' ' 62' ' ' ILE . 2.7 p -74.11 -24.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.163 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -35.68 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.354 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.64 -27.0 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.138 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.32 -60.69 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.152 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.42 -30.67 12.59 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.682 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.634 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -54.32 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.093 0.473 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.791 HG21 ' HB1' ' A' ' 25' ' ' ALA . 6.1 p -59.93 -29.84 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.014 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 mmt -74.56 -36.17 63.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.545 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -24.8 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.602 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.696 ' CE ' HD11 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -93.61 10.07 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.604 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.965 HD22 ' HB1' ' B' ' 124' ' ' ALA . 13.9 mt -121.5 -43.03 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.23 -36.66 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.96 158.4 32.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.358 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -144.09 55.46 3.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.758 ' HG2' HD21 ' A' ' 58' ' ' LEU . 48.1 Cg_endo -67.91 107.95 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.578 2.186 . . . . 0.0 111.945 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 p -57.56 -177.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -56.93 14.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.88 -31.24 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.665 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.3 tm-20 -59.37 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.852 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.758 HD21 ' HG2' ' A' ' 53' ' ' PRO . 10.1 mt -61.41 -40.89 96.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.665 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.95 -24.16 66.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -30.74 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.81 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.0 mp -82.83 -58.52 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.433 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.565 HD12 HG22 ' A' ' 39' ' ' THR . 37.6 mt -44.87 -42.45 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.385 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -33.22 26.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.669 HG22 ' HA ' ' A' ' 81' ' ' MET . 62.7 t -67.77 -45.39 84.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.683 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.9 127.28 32.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.25 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -117.46 26.95 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -149.54 22.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.16 49.96 47.93 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.625 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.56 -27.44 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.226 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.54 9.34 68.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.501 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -122.01 165.28 16.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 110.72 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 45.1 mt -115.96 121.89 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.596 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.28 -167.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -62.6 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.87 -23.26 63.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.927 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.8 mt-10 -54.19 -25.65 23.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.517 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 52.5 t80 -64.19 -15.01 59.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.5 mp -95.35 -38.67 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.837 HG22 ' HB2' ' A' ' 10' ' ' ALA . 21.5 t -65.48 -36.15 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.538 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.669 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.1 ptm -49.02 -40.18 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.152 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.777 ' SD ' ' HE2' ' A' ' 86' ' ' MET . 4.9 ttm -87.3 -34.15 18.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.565 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 79' ' ' LEU . 66.9 t -59.47 -34.1 53.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.578 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -18.23 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.182 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -109.11 -13.56 14.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.021 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.777 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.2 mtm -86.92 -40.58 14.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.475 ' HD3' HG12 ' A' ' 83' ' ' VAL . 6.2 mtpt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.99 0.424 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.705 ' HB3' ' HE1' ' A' ' 82' ' ' MET . . . -81.15 -1.29 43.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.692 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.517 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 26.6 t70 -43.96 -28.95 0.51 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.496 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.17 -70.35 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.757 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.0 ttp -54.57 -31.84 57.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.843 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.685 HD21 ' HE3' ' A' ' 82' ' ' MET . 11.1 mp -64.66 -37.37 87.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.164 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -90.33 7.68 37.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.965 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.53 -76.5 0.18 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.56 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.696 HD11 ' CE ' ' A' ' 48' ' ' MET . 7.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.706 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.7 0.286 . . . . 0.0 111.336 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.527 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -93.27 -15.24 26.04 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.143 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.48 -49.58 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 110.936 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.07 -41.51 92.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.201 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' CB ' HG21 ' A' ' 83' ' ' VAL . . . -46.01 -56.64 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.659 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -53.16 -26.74 18.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.3 -21.67 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CD1' ' HD3' ' A' ' 87' ' ' LYS . 2.2 m-85 -71.82 -24.11 61.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -112.46 161.86 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.14 160.19 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -49.95 -27.55 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.66 -54.88 36.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.71 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -20.36 54.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.662 HG12 HD21 ' A' ' 79' ' ' LEU . 67.9 mt -84.74 -64.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.28 -26.35 2.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.24 -32.43 22.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -60.94 -34.23 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 4.4 tppt? -75.38 -14.79 60.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.807 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.81 -73.22 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.095 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.714 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -71.47 -4.11 24.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.279 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.44 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 4.8 t80 -47.73 -30.32 3.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -73.12 -66.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.533 ' SD ' HD13 ' B' ' 125' ' ' LEU . 1.9 mpt? -59.09 -27.68 65.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.678 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 1.5 m-85 -56.15 -69.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.81 120.21 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.094 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.11 -47.97 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.768 179.799 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 49.3 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.909 0.385 . . . . 0.0 111.018 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.528 HD13 ' CG ' ' A' ' 29' ' ' PHE . 62.5 mt -86.63 124.98 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.255 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 p -95.43 -163.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.522 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -70.61 -55.54 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -34.2 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.475 ' HB3' HG23 ' A' ' 37' ' ' ILE . 22.2 mt-10 -57.76 -29.03 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.63 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.146 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.39 -28.32 4.6 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.82 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -56.69 -78.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.714 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -62.11 -27.47 42.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.811 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.5 mmt -74.33 -29.28 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.401 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -88.79 -26.71 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.561 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.601 ' HE2' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -93.37 10.15 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.635 0.255 . . . . 0.0 111.476 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.755 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.0 mt -119.88 -41.28 2.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.678 0.275 . . . . 0.0 111.062 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.88 -35.4 0.3 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.7 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 161.19 26.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -144.22 51.21 1.44 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' CG ' HD21 ' A' ' 58' ' ' LEU . 68.8 Cg_endo -73.72 107.88 2.51 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.562 2.175 . . . . 0.0 112.167 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.1 p -56.45 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.015 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -57.17 -54.79 42.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.45 -30.35 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.568 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -59.13 -54.84 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.86 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.737 HD21 ' CG ' ' A' ' 53' ' ' PRO . 5.4 mt -74.18 -34.94 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.63 -24.97 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.8 -31.55 45.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 57' ' ' GLU . 1.7 mp -82.04 -56.64 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.529 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.5 mt -46.23 -45.87 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.958 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -54.69 -24.23 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -95.71 -34.59 11.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.564 HG21 HG12 ' A' ' 73' ' ' ILE . 1.2 m -69.17 -31.79 51.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.644 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.29 110.75 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -26.74 38.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.52 15.94 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.25 58.07 8.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.657 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.81 -22.43 11.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.662 0.268 . . . . 0.0 111.302 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.05 -1.13 87.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.44 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 3.5 p -109.83 157.76 18.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.327 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.564 HG12 HG21 ' A' ' 65' ' ' VAL . 76.3 mt -112.6 120.84 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.499 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -169.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -62.14 -70.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 79' ' ' LEU . 15.8 mt-10 -67.37 -28.59 68.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.082 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.6 mt-10 -53.99 -33.57 57.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.267 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.611 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 12.3 t80 -62.34 -15.41 48.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.926 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.971 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 mp -92.98 -42.69 9.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 6' ' ' GLN . 15.6 t -62.53 -39.9 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.735 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.611 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -46.9 -41.14 15.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.378 179.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.675 ' SD ' ' HE2' ' A' ' 86' ' ' MET . 4.1 ttm -87.58 -32.24 19.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.613 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 79' ' ' LEU . 65.7 t -61.31 -34.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.8 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -17.05 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.311 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -108.54 -21.84 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.675 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 7.3 mtm -78.27 -55.12 5.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 p . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.989 0.423 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.553 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -77.48 -1.05 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.335 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 7.9 t0 -46.24 -28.33 1.24 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.696 0.284 . . . . 0.0 111.275 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.2 0.61 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.701 ' HG3' HD12 ' A' ' 49' ' ' LEU . 1.7 ttp -56.65 -34.18 67.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 109.762 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.673 ' CD1' ' HE1' ' A' ' 82' ' ' MET . 8.6 mp -64.16 -38.84 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.1 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -90.22 -6.34 55.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.755 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -57.49 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.988 0.423 . . . . 0.0 111.725 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 45' ' ' VAL . 5.5 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.323 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 . . . . . 0 CA--C 1.528 0.117 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.512 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -72.56 -14.58 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.089 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.14 -48.97 6.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 4.3 mt-10 -57.12 -40.65 77.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.186 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.805 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -44.44 -54.13 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.298 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.709 ' HA ' HD22 ' A' ' 79' ' ' LEU . 1.9 ttt180 -54.6 -27.1 36.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.754 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.87 -19.91 19.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.239 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m-85 -70.35 -12.07 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.29 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 7.3 mt -126.55 162.9 24.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.82 153.83 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.663 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.77 -28.09 5.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.189 0.518 . . . . 0.0 110.027 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.35 -48.73 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.479 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.465 ' HE3' ' HE1' ' A' ' 82' ' ' MET . 0.2 OUTLIER -65.86 -16.16 63.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.33 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.572 HD11 ' O ' ' A' ' 11' ' ' ARG . 64.7 mt -84.54 -63.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -24.62 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.35 -33.19 19.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.248 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.02 -33.3 74.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.47 -12.66 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.617 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.83 -78.28 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.848 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -73.09 -5.88 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 14.1 t80 -46.57 -28.96 1.59 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.695 0.284 . . . . 0.0 111.521 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -61.07 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mtt -59.11 -26.69 64.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.863 ' CE2' HG11 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -56.84 -73.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.26 119.53 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 -51.83 5.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.866 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 33.5 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.632 HD13 ' CD1' ' A' ' 29' ' ' PHE . 80.4 mt -98.13 127.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -119.18 -164.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.586 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.951 HG23 HD12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -65.06 -24.93 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -84.76 -39.21 18.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.319 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.484 ' HB2' HG23 ' A' ' 37' ' ' ILE . 8.5 mt-10 -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.459 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.762 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -82.9 -61.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 111.086 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.99 5.52 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.04 -76.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.98 0.419 . . . . 0.0 111.063 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.863 HG11 ' CE2' ' A' ' 29' ' ' PHE . 8.2 p -64.35 -24.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.771 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG3' HD12 ' A' ' 42' ' ' LEU . 2.3 mmt -76.7 -32.43 57.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.4 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -85.43 -28.12 25.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -92.48 10.17 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.593 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.992 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.8 mt -119.72 -41.08 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -33.7 0.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.375 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.02 159.76 30.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 55.0 t-20 -144.14 51.74 1.63 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.505 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.711 ' CG ' HD21 ' A' ' 58' ' ' LEU . 71.6 Cg_endo -74.15 107.9 2.54 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.54 2.16 . . . . 0.0 112.077 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -59.01 -177.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -57.06 -53.29 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.786 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.17 -32.07 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -60.49 3.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.842 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.711 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.6 mt -67.52 -31.08 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.73 -27.09 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.89 59.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.6 mp -80.07 -59.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.38 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.951 HD12 HG23 ' A' ' 39' ' ' THR . 20.2 mt -45.2 -47.51 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.366 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -34.87 24.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.028 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 81' ' ' MET . 88.4 t -65.82 -47.09 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.06 97.89 7.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.228 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -76.11 -25.48 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.749 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -85.11 -29.81 24.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.79 49.78 1.74 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.287 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.41 -21.68 12.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.36 5.4 72.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.435 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 78.8 p -119.2 141.8 48.56 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.896 0.379 . . . . 0.0 110.807 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 36.0 mt -98.65 119.02 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.393 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.38 -168.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.34 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.8 mp0 -62.93 -29.23 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.036 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 81' ' ' MET . 9.4 mt-10 -50.87 -26.07 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.306 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.492 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 4.6 t80 -64.32 -13.6 51.16 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.938 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.0 mp -95.38 -44.97 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 10' ' ' ALA . 24.6 t -61.26 -35.9 69.2 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.74 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.598 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.4 ptm -47.54 -40.32 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.339 0.59 . . . . 0.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.841 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.9 OUTLIER -93.31 -32.52 14.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.326 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 79' ' ' LEU . 61.7 t -57.13 -31.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.861 0.362 . . . . 0.0 110.539 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.425 ' HG3' HG12 ' A' ' 80' ' ' VAL . 2.9 mtt-85 -77.85 -26.48 49.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -103.08 13.04 35.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' A' ' 82' ' ' MET . 4.2 mtm -116.1 -45.32 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.485 ' HD3' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.833 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . 0.529 ' C ' ' H ' ' B' ' 119' ' ' ASP . 77.7 p . . . . . 0 CA--C 1.527 0.091 0 N-CA-C 110.736 -0.098 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.841 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . 68.44 -26.0 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' B' ' 117' ' ' SER . 34.2 t0 -47.45 -30.01 3.09 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 121.043 0.449 . . . . 0.0 110.394 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.34 55.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.655 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.1 ttp -64.51 -34.27 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 22' ' ' PHE . 8.8 mp -65.28 -39.91 93.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.027 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -90.39 11.72 20.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.178 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.992 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -76.77 -74.44 0.24 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 111.334 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.707 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.8 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.578 ' HG3' HG21 ' A' ' 80' ' ' VAL . 19.6 pt20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.739 0.304 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.529 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 15.7 mp0 -78.78 -20.31 50.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.066 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.14 -50.06 8.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' PHE . 5.2 mm-40 -56.21 -39.02 71.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 109.995 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.64 -58.33 2.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.468 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.505 ' O ' HD11 ' A' ' 19' ' ' ILE . 6.6 mtp85 -53.04 -25.43 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.23 -19.34 18.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -78.14 -24.79 47.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD21 ' CE ' ' A' ' 86' ' ' MET . 17.7 mt -106.65 162.18 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.58 161.94 25.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.599 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -50.15 -27.65 6.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.064 0.459 . . . . 0.0 110.113 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.23 -55.47 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.406 ' CE ' ' HB2' ' B' ' 119' ' ' ASP . 0.0 OUTLIER -60.3 -20.07 57.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.078 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 11' ' ' ARG . 57.7 mt -86.24 -64.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.817 0.341 . . . . 0.0 110.755 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.69 -26.22 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 0.0 110.978 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 25.0 mt-10 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.051 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' HA ' ' HG ' ' B' ' 122' ' ' LEU . 0.0 OUTLIER -60.02 -34.82 73.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.825 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -73.27 -17.19 61.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.774 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.13 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.649 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -74.05 -2.63 25.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 16.9 t80 -51.28 -26.56 7.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 111.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -84.69 -61.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -26.4 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' HD13 ' A' ' 37' ' ' ILE . 2.3 m-85 -55.85 -67.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.09 120.05 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.05 -47.54 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.911 179.818 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 36.5 m-20 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' CG ' ' A' ' 29' ' ' PHE . 55.8 mt -83.16 116.26 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.0 p -98.03 -164.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' HD12 ' A' ' 62' ' ' ILE . 19.2 p -67.66 -29.15 68.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -81.98 -43.71 17.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.057 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.76 -22.72 37.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.625 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.22 -58.71 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.196 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.28 -26.31 9.3 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.656 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.663 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.66 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.689 HG23 ' CE ' ' A' ' 48' ' ' MET . 7.2 p -62.23 -28.28 44.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.749 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.401 ' HG3' HD12 ' A' ' 42' ' ' LEU . 1.8 mmt -72.87 -30.71 64.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.3 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -86.2 -30.1 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.689 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -90.26 10.1 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.439 -179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.043 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.8 mt -119.32 -38.97 2.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.747 0.308 . . . . 0.0 110.997 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.11 -35.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.647 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.98 160.28 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 10.2 t30 -144.12 51.6 1.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.623 ' CG ' HD21 ' A' ' 58' ' ' LEU . 58.9 Cg_endo -71.37 112.66 3.39 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.524 2.149 . . . . 0.0 112.104 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 p -56.12 174.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -48.91 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.28 -36.56 80.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 61' ' ' ILE . 3.2 tt0 -58.08 -60.15 4.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 42' ' ' LEU . 5.4 mt -65.32 -31.79 73.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.81 -25.12 61.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.03 54.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.712 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.0 mp -79.73 -60.34 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.308 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.508 HG21 ' O ' ' A' ' 71' ' ' GLY . 43.0 mt -45.53 -43.49 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.125 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.014 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.5 t -57.41 -33.71 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.393 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -85.8 -35.9 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 81' ' ' MET . 59.5 t -65.49 -50.04 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.529 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.14 110.68 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -100.97 30.62 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.23 -45.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.95 42.75 0.51 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.236 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -24.72 10.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.719 0.295 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 62' ' ' ILE . . . 72.34 9.88 73.66 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.201 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 10.1 p -120.06 168.44 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 77' ' ' GLU . 41.7 mt -119.65 120.44 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.916 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -165.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -62.67 -73.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' ' 79' ' ' LEU . 2.3 pm0 -71.09 -22.4 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 73' ' ' ILE . 3.8 mt-10 -52.52 -27.03 14.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.528 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 30.8 t80 -70.57 -11.09 60.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.139 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 76' ' ' GLU . 1.2 mp -94.85 -44.01 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.145 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.578 HG21 ' HG3' ' A' ' 6' ' ' GLN . 5.5 p -64.67 -32.56 58.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.056 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.548 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.1 ptm -50.87 -41.82 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.284 0.564 . . . . 0.0 110.504 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.847 ' CE ' HD21 ' B' ' 122' ' ' LEU . 3.4 ttm -76.85 -37.47 55.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.65 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.532 HG13 ' CD ' ' A' ' 87' ' ' LYS . 56.7 t -56.97 -34.36 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -15.57 61.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.191 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -109.4 -27.02 9.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.603 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 8.6 mtm -72.73 -54.56 8.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.532 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 119' ' ' ASP . 63.0 m . . . . . 0 CA--C 1.526 0.058 0 N-CA-C 110.724 -0.102 . . . . 0.0 110.724 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.82 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . 69.09 -40.27 0.45 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 111.449 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.697 ' HA ' HD22 ' B' ' 122' ' ' LEU . 9.0 t70 -40.74 -30.0 0.11 Allowed 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.747 0.308 . . . . 0.0 111.561 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.96 1.96 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.37 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.759 ' HG3' HD12 ' A' ' 49' ' ' LEU . 8.9 ttp -60.45 -30.54 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.847 HD21 ' CE ' ' A' ' 82' ' ' MET . 5.4 mp -64.09 -42.31 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.757 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.23 12.89 16.69 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.043 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.21 -71.87 0.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.542 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 45' ' ' VAL . 8.4 mt . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.69 -179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.34 -23.68 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.58 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.678 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' PHE . 10.3 mt-10 -57.08 -42.46 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.932 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -43.3 -59.73 1.98 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -26.53 22.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.758 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.7 -19.18 20.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.231 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -79.85 -38.79 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.006 -179.62 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.7 OUTLIER -89.23 156.74 18.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.47 154.83 36.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -28.38 5.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 0.0 110.284 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -47.14 86.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.553 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.683 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.46 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -71.24 -60.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.28 -28.01 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.018 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -87.96 -31.91 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.918 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.761 ' CD2' HD23 ' A' ' 79' ' ' LEU . 1.4 m-85 -58.42 -34.93 71.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.144 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tmtt? -79.45 -12.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.302 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.05 -72.2 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.882 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -77.26 -1.81 31.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.16 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 17.0 t80 -51.03 -26.58 6.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.743 0.306 . . . . 0.0 111.33 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -85.08 -44.8 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.012 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -68.8 -30.22 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.982 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.627 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 25.3 m-85 -59.08 -75.63 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -55.27 119.41 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.336 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.54 -46.83 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.735 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.817 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 12.8 m-20 . . . . . 0 CA--C 1.528 0.133 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' CG ' ' A' ' 29' ' ' PHE . 19.3 mt -91.78 130.14 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.414 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -105.78 -164.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.63 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.793 HG22 HD12 ' A' ' 62' ' ' ILE . 11.5 p -71.16 -40.29 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.091 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -72.59 -38.57 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.36 -24.98 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.307 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 46' ' ' MET . 0.3 OUTLIER -80.28 -59.69 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.297 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.01 14.66 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.649 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.662 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.21 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.882 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.5 p -62.07 -27.29 42.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.786 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.491 ' HE1' ' HG2' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -76.66 -31.67 57.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.44 -179.428 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -87.08 -27.53 23.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.257 . . . . 0.0 111.325 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.592 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -92.47 10.1 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.472 -179.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.086 HD22 ' HB1' ' B' ' 124' ' ' ALA . 18.8 mt -119.49 -40.92 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.92 -36.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.596 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.491 ' HG2' ' HE1' ' A' ' 46' ' ' MET . 1.1 tp-100 -67.99 160.8 27.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -144.22 58.65 6.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.75 ' CG ' HD21 ' A' ' 58' ' ' LEU . 73.5 Cg_endo -74.29 107.99 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.587 2.192 . . . . 0.0 112.168 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -56.15 179.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -43.28 82.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.6 m -72.63 -30.4 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -57.2 -59.23 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.5 mt -69.23 -31.98 70.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -21.84 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -31.81 26.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.8 mp -82.35 -58.16 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.488 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.793 HD12 HG22 ' A' ' 39' ' ' THR . 46.5 mt -45.3 -44.47 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.182 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -39.85 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.314 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -33.29 57.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.259 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 ' CB ' ' A' ' 81' ' ' MET . 72.4 t -67.02 -55.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.37 119.32 12.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.942 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.15 28.76 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -155.92 26.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.64 54.92 10.12 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.696 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 p -116.72 -25.42 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 111.473 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.51 11.12 61.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.122 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 25.2 p -111.86 140.23 46.68 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 28.6 mt -105.84 96.58 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.428 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -52.59 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -51.71 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 7' ' ' GLN . 33.2 mp0 -61.21 -27.95 68.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.4 mt-10 -52.87 -23.81 7.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.637 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 55.3 t80 -72.61 -14.79 61.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.257 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.761 HD23 ' CD2' ' A' ' 22' ' ' PHE . 3.1 mp -95.46 -48.32 5.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 77' ' ' GLU . 8.8 p -58.67 -35.12 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.876 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.8 ptm -48.13 -41.49 26.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.787 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.0 OUTLIER -85.21 -32.96 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.89 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.852 HG13 ' CE ' ' A' ' 87' ' ' LYS . 65.4 t -57.21 -30.65 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.402 ' NH1' ' HA ' ' A' ' 65' ' ' VAL . 12.9 mtt85 -83.05 -20.79 34.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.061 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 81' ' ' MET . 7.3 mm-40 -112.96 1.41 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.586 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 1.6 ptp -116.56 -26.43 7.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.034 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.852 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.785 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.03 0.443 . . . . 0.0 111.114 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.787 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -82.77 0.57 43.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.461 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 30.0 t70 -46.38 -28.6 1.39 Allowed 'General case' 0 C--O 1.23 0.067 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.79 -70.16 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.738 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.6 OUTLIER -54.71 -33.1 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.067 0.46 . . . . 0.0 109.897 179.333 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.738 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.6 mp -65.59 -35.49 80.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.177 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -6.6 54.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 1.086 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -58.29 -71.54 0.11 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 111.67 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.592 HD21 ' HE1' ' A' ' 48' ' ' MET . 9.0 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.444 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.707 ' CG ' HG21 ' A' ' 80' ' ' VAL . 3.4 pt20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.838 0.351 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -64.01 -33.42 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.72 -53.14 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.916 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.9 mm-40 -53.6 -39.86 65.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -42.76 -61.35 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.46 ' CG ' HD22 ' A' ' 79' ' ' LEU . 10.8 mtp180 -52.27 -26.2 11.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.55 -19.37 20.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.275 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -76.17 -13.4 60.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.241 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -129.19 172.07 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.12 162.3 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.672 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -27.38 5.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.058 0.456 . . . . 0.0 110.123 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.72 -60.63 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.71 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.856 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -55.18 -23.29 21.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 50.1 mt -73.87 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.09 -27.35 3.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 1.1 mm-40 -78.38 -33.36 48.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.649 ' HE2' HD13 ' A' ' 14' ' ' LEU . 19.4 m-85 -62.91 -47.35 83.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.48 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -67.56 -15.56 63.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.976 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -47.95 -71.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.087 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -80.93 -0.81 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 28.0 t80 -55.6 -30.47 60.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.756 0.312 . . . . 0.0 111.208 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.73 -49.95 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 tpp -68.06 -27.61 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CE1' HG11 ' A' ' 45' ' ' VAL . 2.9 m-85 -57.11 -67.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -57.89 118.3 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.55 6.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.985 179.866 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.428 HD11 ' CG ' ' A' ' 29' ' ' PHE . 57.9 mt -112.95 115.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -104.18 -164.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.655 HG22 HD12 ' A' ' 62' ' ' ILE . 67.2 p -67.11 -20.18 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.258 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -28.87 17.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.311 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.47 -25.16 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.368 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.18 -50.57 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.181 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.71 -21.24 35.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.705 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.63 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.8 m -62.47 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.698 HG23 ' CE ' ' A' ' 48' ' ' MET . 2.7 p -54.94 -37.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.91 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.474 ' HE1' ' HE2' ' B' ' 121' ' ' MET . 2.6 mmt -65.43 -23.76 67.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.513 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.12 -36.17 18.25 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.698 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -80.59 -20.38 43.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 111.336 -179.574 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.624 ' CD1' HG22 ' A' ' 45' ' ' VAL . 77.6 mt -82.86 -47.49 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.8 -23.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.509 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.81 160.85 27.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.701 0.286 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -144.17 54.34 2.76 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.75 ' CG ' HD21 ' A' ' 58' ' ' LEU . 52.6 Cg_endo -68.51 107.68 1.67 Allowed 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.513 2.142 . . . . 0.0 111.866 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -55.25 173.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.642 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.406 ' H ' HG22 ' A' ' 54' ' ' THR . 19.3 tptm -55.54 -45.39 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -32.04 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.652 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -62.29 -66.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 53' ' ' PRO . 12.1 mt -61.44 -33.8 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.06 -24.36 62.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.05 -32.68 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.792 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -79.35 -61.56 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.3 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.655 HD12 HG22 ' A' ' 39' ' ' THR . 51.8 mt -43.84 -35.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.388 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.4 -45.05 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.422 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.39 -37.66 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.397 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.632 HG11 ' HB3' ' A' ' 81' ' ' MET . 78.6 t -66.36 -63.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.717 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.89 118.02 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.13 26.69 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' CG ' ' HG ' ' A' ' 70' ' ' SER . 12.9 p-10 -148.6 21.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.2 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.84 37.66 15.36 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.801 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.406 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 1.5 p -92.22 -29.27 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.099 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.81 8.66 73.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.535 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.0 p -118.22 132.89 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 77' ' ' GLU . 59.1 mt -93.8 116.92 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.57 -165.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -78.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 79' ' ' LEU . 28.4 mm-40 -62.86 -23.67 67.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.042 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HB3' HG23 ' A' ' 73' ' ' ILE . 3.0 mt-10 -51.43 -28.82 13.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.616 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 32.7 t80 -66.29 -18.92 65.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.763 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.4 mp -90.68 -35.65 14.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.707 HG21 ' CG ' ' A' ' 6' ' ' GLN . 5.1 p -76.63 -34.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.207 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.632 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.3 ptm -50.3 -39.21 44.9 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.777 0.799 . . . . 0.0 110.12 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.942 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 4.3 mmm -76.16 -41.6 49.32 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 79' ' ' LEU . 41.7 t -58.29 -31.15 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -6.95 53.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.344 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 81' ' ' MET . 2.1 mt-30 -116.12 -22.67 8.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.703 0.287 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.534 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 11.8 mtt -79.62 -40.91 28.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.007 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.476 ' HD3' HG12 ' A' ' 83' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.048 0.452 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.942 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -76.44 0.6 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.337 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.454 ' HA ' HD22 ' B' ' 122' ' ' LEU . 25.7 t70 -46.29 -26.21 0.77 Allowed 'General case' 0 CA--C 1.527 0.068 0 CA-C-O 120.693 0.282 . . . . 0.0 111.415 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.42 -72.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.551 ' HA ' HD13 ' A' ' 49' ' ' LEU . 11.9 ttp -50.78 -41.34 56.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.204 0.526 . . . . 0.0 109.842 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.461 HD23 ' CE1' ' A' ' 22' ' ' PHE . 1.4 mp -59.88 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.085 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' B' ' 119' ' ' ASP . 8.3 ttt180 -90.55 -21.74 21.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.542 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -52.4 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.999 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' A' ' 25' ' ' ALA . 9.3 mt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.886 -179.185 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.454 ' NE2' HG11 ' A' ' 80' ' ' VAL . 16.1 pt20 . . . . . 0 N--CA 1.462 0.14 0 CA-C-O 120.815 0.341 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.466 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -58.61 -28.85 66.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.467 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.11 -53.89 6.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.176 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.6 mt-10 -58.86 -42.96 90.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.967 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -45.29 -56.45 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.169 179.39 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.659 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -55.17 -24.44 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.845 179.566 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.26 -16.24 20.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.465 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 87' ' ' LYS . 82.7 t80 -69.24 -27.29 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 0.0 111.232 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.88 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -113.37 174.08 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 111.028 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.65 161.51 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.71 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.03 -28.1 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.122 0.487 . . . . 0.0 110.164 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.16 -46.9 88.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.583 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.88 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.39 -18.28 60.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 11' ' ' ARG . 46.3 mt -81.98 -65.01 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.329 . . . . 0.0 110.776 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.98 -27.21 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.073 0.463 . . . . 0.0 110.816 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -86.51 -31.15 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.952 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.659 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.72 -36.12 78.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.29 179.246 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -80.52 -8.44 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.119 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.17 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.774 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -74.63 -0.93 19.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.12 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 75' ' ' PHE . 3.8 t80 -47.73 -27.99 2.25 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.741 0.305 . . . . 0.0 111.609 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.57 -49.87 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.302 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.247 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CE1' HG11 ' A' ' 45' ' ' VAL . 14.8 m-85 -57.3 -74.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.139 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -50.45 119.58 3.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.5 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -48.94 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.794 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.814 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 39.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.915 0.388 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.62 HD13 ' CG ' ' A' ' 29' ' ' PHE . 36.6 mt -87.67 131.26 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.173 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -110.06 -164.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.731 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.947 HG22 HD12 ' A' ' 62' ' ' ILE . 74.7 p -68.96 -48.77 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -63.51 -30.67 71.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.92 -25.12 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.193 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -80.75 -56.13 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.288 -179.585 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.82 -30.77 22.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.667 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.61 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.774 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -60.24 -30.57 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.027 -179.144 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.583 ' HE1' ' HG2' ' A' ' 51' ' ' GLN . 1.1 mtp -73.54 -34.52 65.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.6 -179.098 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mtp-105 -82.97 -26.7 31.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.593 0.235 . . . . 0.0 111.58 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.713 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -94.05 10.15 34.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.688 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.751 HD12 ' HG3' ' B' ' 121' ' ' MET . 15.0 mt -121.11 -42.6 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.678 0.275 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.47 -42.54 0.2 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.918 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.583 ' HG2' ' HE1' ' A' ' 46' ' ' MET . 25.3 mp0 -67.83 162.2 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.746 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 3.9 m120 -144.33 52.54 1.86 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.729 ' HG2' HD21 ' A' ' 58' ' ' LEU . 80.1 Cg_endo -76.72 107.91 2.55 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.503 2.136 . . . . 0.0 112.153 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -176.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -53.15 60.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 23.0 t -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -60.75 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.729 HD21 ' HG2' ' A' ' 53' ' ' PRO . 8.6 mt -65.27 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.02 -25.97 68.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.44 -30.36 53.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.688 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -82.98 -59.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.344 179.368 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.947 HD12 HG22 ' A' ' 39' ' ' THR . 30.1 mt -43.9 -42.87 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.112 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.2 t -57.57 -47.98 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -32.81 65.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.953 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' CB ' ' A' ' 81' ' ' MET . 53.1 t -63.32 -51.8 66.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.344 179.312 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.75 118.34 17.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -90.05 -24.14 21.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -100.18 19.89 15.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.9 58.84 7.29 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.688 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 p -113.95 -23.9 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.666 0.269 . . . . 0.0 111.358 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.21 1.82 76.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.385 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 7.7 p -113.23 150.56 32.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 51.1 mt -107.38 120.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.504 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -170.82 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -62.1 -74.79 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 79' ' ' LEU . 22.8 mt-10 -66.76 -25.42 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 81' ' ' MET . 2.8 mt-10 -52.5 -26.14 12.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 18.6 t80 -63.71 -15.13 57.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.113 179.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 mp -95.32 -43.75 7.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.964 0.411 . . . . 0.0 109.942 178.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.967 HG22 ' HB2' ' A' ' 10' ' ' ALA . 54.8 t -62.93 -34.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.648 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.63 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.7 ptm -49.89 -41.37 45.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.572 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.495 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.0 OUTLIER -91.55 -28.33 17.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.158 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 79' ' ' LEU . 90.4 t -59.65 -42.6 88.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.954 0.407 . . . . 0.0 110.279 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -65.04 -26.13 68.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.723 179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -102.97 13.01 35.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' MET . . . . . 0.544 ' CE ' HD21 ' A' ' 14' ' ' LEU . 4.4 mtm -116.17 -37.88 3.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.869 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 117' ' ' SER . . . . . 0.505 ' C ' ' H ' ' B' ' 119' ' ' ASP . 71.1 m . . . . . 0 CA--C 1.528 0.119 0 N-CA-C 110.521 -0.177 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 118' ' ' ALA . . . . . 0.556 ' O ' HD13 ' B' ' 122' ' ' LEU . . . 70.75 -23.48 0.17 Allowed 'General case' 0 C--N 1.333 -0.148 0 O-C-N 122.405 -0.185 . . . . 0.0 111.258 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 119' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' B' ' 117' ' ' SER . 11.0 t70 -46.19 -31.04 2.21 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.051 0.453 . . . . 0.0 110.101 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.3 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.109 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 121' ' ' MET . . . . . 0.765 ' CE ' HD12 ' B' ' 122' ' ' LEU . 5.9 ttp -60.08 -39.38 85.87 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . 0.765 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.4 mp -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.835 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -90.66 11.47 22.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 124' ' ' ALA . . . . . 0.72 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -76.85 -79.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.92 0.39 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.713 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.7 mt . . . . . 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.39 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.822 0.344 . . . . 4.06 111.067 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -126.92 142.16 51.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 3.35 110.899 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mtm -139.34 -47.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 3.18 110.945 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 t -161.86 117.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 1.34 110.888 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -96.61 25.23 5.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 2.4 111.068 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -71.47 -30.83 66.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.37 -0.377 . . . . 1.62 110.786 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -68.27 -29.04 67.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 2.07 110.839 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.7 -51.02 15.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.8 111.058 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -59.37 -28.92 67.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 1.72 110.831 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.82 -50.94 69.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.61 111.144 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.535 ' HG3' HD13 ' A' ' 79' ' ' LEU . 4.7 mtp180 -59.09 -30.28 67.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 2.07 110.943 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.57 -29.85 23.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.145 -0.48 . . . . 0.86 111.163 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -69.18 -30.87 69.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 2.18 110.91 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.6 mt -97.55 151.14 20.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.85 110.841 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.55 164.44 26.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 1.6 110.85 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -58.15 -30.1 66.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 2.67 110.802 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -38.47 83.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 2.48 110.848 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.61 -45.07 65.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.86 110.928 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.409 ' HA ' ' HB2' ' A' ' 22' ' ' PHE . 38.2 mt -56.44 -46.79 82.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.86 111.156 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -52.71 -60.28 3.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.086 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -63.83 -26.22 68.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 2.01 110.501 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -55.8 -35.01 65.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.996 -0.547 . . . . 3.68 110.895 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -82.28 2.43 32.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.986 -0.552 . . . . 2.98 111.418 179.841 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.471 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -58.1 -78.05 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.831 0.348 . . . . 0.93 111.528 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.717 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -78.6 -1.72 35.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.8 111.95 -179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 20.3 t80 -52.03 -27.53 14.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.746 0.308 . . . . 1.75 111.14 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.98 -54.7 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.314 -0.403 . . . . 2.19 110.842 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.7 mtt -63.71 -26.23 68.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 1.31 110.975 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.744 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.4 OUTLIER -55.45 -70.3 0.11 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.334 -0.394 . . . . 1.48 111.069 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -58.03 118.02 4.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 1.08 110.947 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -85.38 -53.34 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 1.1 111.11 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -76.29 -30.59 57.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.21 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.25 36.33 45.63 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 1.73 112.558 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -168.87 31.78 0.17 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.786 -0.721 . . . . 1.94 112.477 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.91 -102.73 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.678 -0.772 . . . . 2.08 112.478 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -166.42 -175.94 3.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.837 0.351 . . . . 1.32 110.761 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.744 HD13 ' CD1' ' A' ' 29' ' ' PHE . 42.2 mt -95.88 130.82 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.51 111.078 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -115.01 -166.18 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 1.49 110.712 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.582 ' CG2' HD12 ' A' ' 62' ' ' ILE . 3.6 p -68.3 -29.47 68.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.65 110.959 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.42 -47.42 23.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 3.35 110.988 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -58.28 -29.47 65.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 1.53 111.064 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.735 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -70.07 -60.74 2.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 0.42 111.093 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -53.7 -23.84 23.02 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.811 -0.709 . . . . 0.52 112.779 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.2 m -59.57 -76.97 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.334 . . . . 0.61 111.001 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.717 HG21 ' CB ' ' A' ' 25' ' ' ALA . 9.5 p -61.21 -24.28 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.62 111.486 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.7 mmt -76.99 -29.44 55.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.49 -0.323 . . . . 1.15 111.153 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -88.72 -27.47 21.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.453 -0.34 . . . . 2.38 111.156 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.526 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.8 OUTLIER -97.79 35.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.354 -0.385 . . . . 0.85 111.05 -179.843 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.837 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.8 mt -146.39 -47.98 0.2 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.248 -0.433 . . . . 0.94 110.908 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.62 -42.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.88 112.506 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -61.17 166.08 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.757 0.313 . . . . 1.94 110.844 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 7.8 t30 -149.7 53.15 1.23 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.269 -0.423 . . . . 2.19 111.007 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.473 ' CG ' HD21 ' A' ' 58' ' ' LEU . 63.9 Cg_endo -73.6 107.8 2.48 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.508 2.139 . . . . 0.51 112.2 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -57.27 -178.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 1.44 111.058 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.6 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 2.21 110.944 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.48 68.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 1.6 110.909 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.651 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.3 OUTLIER -60.09 -65.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 2.15 110.921 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.679 HD22 ' HB3' ' A' ' 42' ' ' LEU . 13.1 mt -59.19 -38.0 78.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.4 110.935 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -59.57 -30.87 68.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.473 . . . . 1.78 110.919 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.66 -44.3 78.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.59 111.059 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.651 HD12 ' O ' ' A' ' 57' ' ' GLU . 5.3 mp -70.25 -60.48 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.55 110.975 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.582 HD12 ' CG2' ' A' ' 39' ' ' THR . 42.9 mt -47.0 -37.07 3.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.318 -0.401 . . . . 0.44 111.362 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 43.4 t -59.16 -31.28 68.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.274 -0.421 . . . . 0.81 110.841 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -87.81 -32.41 19.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 1.99 110.728 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 81' ' ' MET . 27.7 t -63.4 -60.99 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.77 111.039 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.28 102.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 1.16 110.886 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -74.89 -30.08 61.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 3.3 111.049 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -82.46 -30.99 29.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 1.33 110.993 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.8 53.48 1.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.73 -0.748 . . . . 0.82 112.388 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.72 -23.09 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.744 0.307 . . . . 0.65 111.208 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 78.75 15.15 81.2 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.671 -0.776 . . . . 0.56 112.567 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 72.2 p -125.5 140.79 52.46 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.816 0.341 . . . . 0.72 110.776 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 31.6 mt -99.33 121.43 49.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.52 111.297 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -75.93 -169.4 1.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 1.74 110.875 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -60.23 -75.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.218 -0.447 . . . . 2.31 110.889 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 79' ' ' LEU . 4.7 mt-10 -66.55 -25.27 66.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.408 . . . . 2.25 110.9 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.02 -23.59 33.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.338 -0.392 . . . . 1.23 111.144 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.557 ' CD1' HD12 ' A' ' 37' ' ' ILE . 34.1 t80 -70.67 -15.72 62.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 2.4 111.209 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.745 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.2 mt -91.81 -37.48 12.92 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.65 111.203 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.3 p -71.96 -26.53 25.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.391 -0.368 . . . . 1.14 111.599 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.417 ' CB ' HG22 ' A' ' 65' ' ' VAL . 4.3 ptm -58.01 -35.71 71.64 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.839 0.352 . . . . 0.49 110.821 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.671 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.1 OUTLIER -84.73 -30.94 24.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.135 -0.484 . . . . 1.19 110.62 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.745 HG23 ' O ' ' A' ' 79' ' ' LEU . 30.2 t -66.51 -31.29 52.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.063 -0.517 . . . . 0.59 110.921 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 mtt-85 -73.68 -8.71 57.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.098 -0.501 . . . . 2.15 111.254 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -115.73 -30.49 6.11 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.796 0.331 . . . . 2.19 111.111 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.554 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 10.9 mtt -63.06 -75.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.86 111.2 -179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.446 ' HD2' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.84 -29.56 70.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 3.37 111.128 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 12.1 tm-20 -54.51 103.57 0.09 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.316 -0.402 . . . . 4.24 111.123 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -178.04 86.51 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.071 -0.513 . . . . 5.63 110.743 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.881 . . . . 6.23 110.981 -179.912 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.813 0.34 . . . . 4.27 111.274 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 6.8 ttt -67.16 -72.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 1.81 110.856 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 59.5 p -86.7 77.68 9.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 1.4 110.861 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.671 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -90.16 12.53 17.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.78 111.433 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -57.79 -26.54 62.07 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.734 0.302 . . . . 1.46 110.909 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.93 -65.22 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.358 -0.383 . . . . 0.88 110.953 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.631 ' HG3' HD12 ' A' ' 49' ' ' LEU . 10.8 ttp -61.54 -36.19 79.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.87 110.657 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.617 HD13 ' O ' ' B' ' 118' ' ' ALA . 10.3 mp -65.55 -36.57 84.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.87 110.65 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 34.1 ttt180 -87.93 -17.07 32.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 3.33 111.321 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.837 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -50.85 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.869 0.366 . . . . 1.09 111.338 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 25' ' ' ALA . 15.1 mt -75.35 -27.65 59.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.19 110.945 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.471 ' N ' ' HB1' ' A' ' 24' ' ' ALA . 1.2 mt 60.5 158.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.237 -0.438 . . . . 3.71 110.841 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -54.57 -25.13 34.14 Favored Glycine 0 CA--C 1.519 0.287 0 C-N-CA 120.759 -0.734 . . . . 3.14 112.569 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 57.51 48.27 14.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.864 0.364 . . . . 4.75 110.882 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.22 -46.27 7.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.072 -0.513 . . . . 8.98 110.826 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.1 t60 68.31 -65.72 0.25 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.094 -0.503 . . . . 8.27 111.097 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 7.1 mtmm . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.325 -0.845 . . . . 11.32 110.985 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.271 0 CA-C-O 120.739 0.304 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -105.11 168.81 8.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -157.16 -46.15 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 4' ' ' THR . 7.1 t -137.6 114.86 10.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.92 2.19 25.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.467 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.673 ' CG ' HG21 ' A' ' 80' ' ' VAL . 12.3 pt20 -54.84 -23.81 20.11 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.735 0.302 . . . . 0.0 111.161 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.463 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 9.5 mt-30 -75.25 -23.73 57.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.91 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.46 -51.63 9.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -58.56 -38.47 77.93 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.085 0.469 . . . . 0.0 109.971 179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -44.72 -55.69 5.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.239 179.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.617 ' HA ' HD22 ' A' ' 79' ' ' LEU . 5.5 ttp85 -53.89 -26.0 22.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.947 179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -98.01 -16.61 19.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.542 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.437 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 82.0 t80 -69.53 -29.64 67.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.726 0.298 . . . . 0.0 111.187 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.2 OUTLIER -109.77 178.91 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.929 0.395 . . . . 0.0 111.022 -179.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.39 161.71 14.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.726 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -50.0 -28.03 6.32 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.077 0.465 . . . . 0.0 110.13 179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -60.4 -51.47 69.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.561 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.81 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -65.69 -20.8 66.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.066 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.499 HD13 ' NH1' ' A' ' 11' ' ' ARG . 54.3 mt -80.36 -63.95 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-O 120.872 0.368 . . . . 0.0 110.674 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.31 -26.95 5.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -87.65 -31.38 19.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.866 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.709 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.94 -35.51 76.93 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.158 179.218 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HD2' ' CG ' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -79.36 -8.71 59.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.96 179.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.45 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -46.01 -73.32 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.913 0.387 . . . . 0.0 112.004 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.763 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -72.53 -4.28 29.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.964 -0.562 . . . . 0.0 112.277 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CG ' ' HD2' ' A' ' 23' ' ' LYS . 1.8 t80 -47.18 -28.88 2.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.723 0.297 . . . . 0.0 111.424 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.81 -59.21 2.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.561 ' HG3' HD13 ' B' ' 125' ' ' LEU . 9.0 mmt -58.63 -28.71 65.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 5.8 m-85 -57.74 -73.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -59.6 119.94 8.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.175 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -91.89 -49.12 6.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.787 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.2 p-10 -88.17 -26.57 22.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.776 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.21 61.51 2.99 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.586 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.24 42.72 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.574 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.93 29.27 0.18 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.567 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 52.28 -177.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.849 0.357 . . . . 0.0 111.161 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.489 HD13 ' CG ' ' A' ' 29' ' ' PHE . 65.5 mt -93.83 127.61 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.282 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.3 t -102.02 -163.0 0.97 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.608 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.615 ' CG2' HD12 ' A' ' 62' ' ' ILE . 1.3 p -67.24 -61.86 1.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.44 -34.58 64.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.362 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.37 -25.81 62.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.282 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.83 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -81.78 -57.57 3.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.798 0.333 . . . . 0.0 111.202 -179.703 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.9 5.46 Favored Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.84 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.65 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.83 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.997 0.427 . . . . 0.0 111.023 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.763 HG21 ' CB ' ' A' ' 25' ' ' ALA . 6.5 p -60.57 -30.4 46.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.85 -179.332 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.539 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -71.66 -32.92 68.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.607 -179.177 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -84.91 -26.86 27.0 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.608 0.225 . . . . 0.0 111.608 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.488 ' HE2' HG23 ' A' ' 45' ' ' VAL . 0.3 OUTLIER -93.84 10.23 34.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.593 -179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.023 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.9 mt -119.73 -41.33 2.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.791 0.329 . . . . 0.0 111.075 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 166.72 -39.73 0.25 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.683 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -67.92 161.4 26.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.734 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.466 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 15.7 t30 -144.21 48.78 0.93 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.346 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.825 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.2 Cg_endo -76.02 107.93 2.57 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.39 2.06 . . . . 0.0 112.237 179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.488 HG22 ' HG2' ' A' ' 57' ' ' GLU . 5.4 t -64.44 173.99 1.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 mmtm -50.33 -38.26 40.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.179 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 94.4 m -68.89 -31.83 71.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.488 ' HG2' HG22 ' A' ' 54' ' ' THR . 16.0 mm-40 -72.24 -54.62 9.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.83 HD22 ' HB3' ' A' ' 42' ' ' LEU . 2.5 mt -66.62 -28.04 68.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.125 -179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -69.43 -24.86 63.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.802 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -79.1 -30.06 43.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.769 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.7 mp -82.33 -58.34 3.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.505 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.615 HD12 ' CG2' ' A' ' 39' ' ' THR . 44.7 mt -45.67 -45.89 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.166 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 179.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.6 t -54.75 -42.89 72.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.399 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -76.93 -32.67 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.007 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.679 HG22 ' CB ' ' A' ' 81' ' ' MET . 53.1 t -65.15 -42.88 95.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.45 179.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -86.71 99.67 11.93 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.157 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.77 -27.79 62.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.756 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -84.34 -27.99 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.985 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.14 53.54 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.344 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 p -110.96 -24.85 10.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 0.0 111.278 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.64 -7.46 76.61 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.496 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -105.03 150.53 24.88 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.882 0.372 . . . . 0.0 110.709 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.419 HG12 HG11 ' A' ' 65' ' ' VAL . 44.0 mt -107.62 115.12 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.441 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.91 -174.0 0.29 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.898 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.89 -78.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' HB2' ' HB3' ' A' ' 7' ' ' GLN . 12.7 mm-40 -61.02 -26.84 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.1 mt-10 -52.87 -25.08 10.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.311 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.545 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 20.6 t80 -68.21 -15.35 63.54 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.365 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.779 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.7 mp -95.33 -42.31 8.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.759 0.314 . . . . 0.0 110.448 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.673 HG21 ' CG ' ' A' ' 6' ' ' GLN . 7.8 p -66.38 -33.32 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.772 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.679 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.6 ptm -49.48 -42.55 43.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.593 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.655 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.1 OUTLIER -85.78 -23.78 27.11 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.899 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 79' ' ' LEU . 94.0 t -68.39 -38.14 78.92 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-O 120.977 0.418 . . . . 0.0 110.06 179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -65.63 -24.87 67.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.774 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -99.3 -25.01 14.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.432 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 5.8 mtt -72.31 -39.3 68.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.585 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.437 ' HG3' ' CZ ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -84.46 57.09 4.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.847 179.755 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.65 -172.69 3.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 3.3 t0 60.37 -175.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.223 -0.894 . . . . 0.0 111.163 179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.86 0.362 . . . . 0.0 111.217 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 9.3 ttt -101.87 -65.06 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.748 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 20.7 p -88.78 53.07 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.655 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -80.43 0.46 33.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.898 179.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.85 -29.55 0.82 Allowed 'General case' 0 C--O 1.231 0.12 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.906 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -58.0 -66.62 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.735 ' CE ' HD12 ' B' ' 122' ' ' LEU . 2.5 ttp -56.13 -34.03 65.71 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.081 0.467 . . . . 0.0 109.879 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.735 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.7 mp -65.92 -40.99 91.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.068 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -90.64 14.17 14.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.061 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.023 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -78.51 -75.02 0.24 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.871 0.367 . . . . 0.0 111.463 -179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.561 HD13 ' HG3' ' A' ' 28' ' ' MET . 6.7 mt -76.44 -20.9 56.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.266 -179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.45 ' N ' ' HB1' ' A' ' 24' ' ' ALA . 1.4 mt 56.68 170.45 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.799 0.333 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -122.37 87.51 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.52 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 27.9 t -119.93 173.48 7.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.831 0.348 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.48 141.56 51.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -163.71 -67.44 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 7.6 mttp . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.874 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.873 0.368 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.32 175.79 0.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -176.99 -39.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.83 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 69.1 p -123.71 114.0 19.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -79.66 -2.02 40.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.454 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.464 ' CG ' HG21 ' A' ' 80' ' ' VAL . 7.6 pt20 -53.63 -24.77 15.12 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.801 0.334 . . . . 0.0 111.057 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.458 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -76.62 -21.56 55.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.94 -50.6 9.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.85 -37.47 71.33 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.074 0.464 . . . . 0.0 110.11 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.746 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -45.37 -56.77 4.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.394 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.8 mtp180 -52.98 -26.01 13.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.947 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.07 -20.43 18.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.254 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -74.2 -24.95 59.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.769 0.319 . . . . 0.0 111.039 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.746 HD12 ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -112.24 171.09 7.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.012 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.29 160.71 17.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.647 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.63 -27.49 7.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.075 0.464 . . . . 0.0 110.241 179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -60.52 -54.01 50.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.639 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.739 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.08 -27.57 65.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.936 179.923 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.5 mt -74.66 -63.17 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 110.741 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.33 -26.3 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.191 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 23.4 mt-10 -90.26 -30.94 17.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.903 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.689 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.3 OUTLIER -60.27 -33.48 72.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 179.078 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.7 OUTLIER -79.44 -8.25 58.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.851 179.474 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -47.54 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.959 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.8 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -76.48 -2.73 33.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.316 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.428 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -46.44 -28.85 1.49 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.735 0.302 . . . . 0.0 111.538 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -85.77 -57.2 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.037 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.4 tpp -59.45 -28.28 66.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.761 ' HE1' HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.71 -75.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.966 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -52.35 118.55 3.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.181 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.76 -48.43 6.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.85 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.5 p30 -82.45 -22.56 35.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.869 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 37.22 19.81 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.548 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 166.16 43.8 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.96 20.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.665 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 66.0 m-20 55.82 -175.21 0.05 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.865 0.364 . . . . 0.0 111.075 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.617 HD13 ' CD1' ' A' ' 29' ' ' PHE . 92.5 mt -100.3 120.25 49.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.23 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.1 p -106.78 -164.13 0.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.694 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.714 HG23 HD12 ' A' ' 62' ' ' ILE . 2.5 p -67.1 -28.63 68.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.172 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -81.26 -38.16 27.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.212 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -65.71 -16.63 63.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.446 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.3 OUTLIER -83.82 -62.24 1.62 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.63 0.252 . . . . 0.0 111.085 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.32 -28.57 4.64 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.525 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.682 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -59.29 -75.95 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.919 0.39 . . . . 0.0 111.004 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.3 p -63.89 -25.14 37.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.933 -179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.6 mmt -77.51 -32.48 54.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.574 0.226 . . . . 0.0 111.41 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.8 mtp85 -83.71 -31.14 26.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.712 0.292 . . . . 0.0 111.439 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.479 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -90.15 10.09 25.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.522 -179.749 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.102 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.8 mt -119.27 -38.55 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.834 0.349 . . . . 0.0 110.999 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.55 -32.41 0.63 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.359 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.01 159.49 30.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.734 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 12.1 t-20 -144.24 51.08 1.39 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.43 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.746 ' CG ' HD21 ' A' ' 58' ' ' LEU . 59.7 Cg_endo -71.74 107.98 2.32 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.503 2.135 . . . . 0.0 112.128 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.7 p -56.36 -178.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.51 69.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.853 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 14.5 t -64.07 -30.82 71.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.771 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -59.15 5.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.746 HD21 ' CG ' ' A' ' 53' ' ' PRO . 11.9 mt -70.26 -36.09 74.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.744 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -64.65 -25.49 67.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.881 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.07 -32.09 59.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.871 0.367 . . . . 0.0 110.663 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.3 -60.65 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.323 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 39' ' ' THR . 36.6 mt -43.17 -43.74 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.149 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.164 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.1 t -59.44 -41.56 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.248 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -75.32 -36.22 61.1 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.135 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 81' ' ' MET . 78.2 t -65.09 -56.25 16.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.448 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.91 97.5 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.117 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.92 -28.52 60.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.806 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -81.43 -30.18 33.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.946 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.74 51.04 1.72 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.401 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.72 -25.05 10.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.708 0.29 . . . . 0.0 111.187 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 80.21 0.31 85.86 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.559 -179.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.4 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 38.7 p -111.65 144.18 41.33 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.771 0.32 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.461 HG23 ' HB3' ' A' ' 77' ' ' GLU . 33.3 mt -102.84 118.84 50.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.319 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -168.86 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -61.12 -73.59 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.972 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 79' ' ' LEU . 2.8 mm-40 -65.12 -28.03 69.15 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.891 0.377 . . . . 0.0 110.592 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.597 ' HA ' HG12 ' A' ' 80' ' ' VAL . 5.4 mt-10 -52.1 -27.35 13.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.516 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 11.2 t80 -64.61 -16.04 62.09 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.157 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.605 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.1 mp -95.61 -49.35 5.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.843 0.354 . . . . 0.0 110.2 178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.597 HG12 ' HA ' ' A' ' 77' ' ' GLU . 8.5 p -60.02 -30.56 45.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.833 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.592 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.0 OUTLIER -52.77 -42.17 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.489 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.765 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 2.2 mtp -86.69 -25.61 24.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.935 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 79' ' ' LEU . 75.9 t -61.47 -34.53 61.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.084 0.468 . . . . 0.0 110.135 179.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -73.12 -14.54 61.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.084 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.461 ' NE2' HG23 ' A' ' 61' ' ' ILE . 17.7 mt-30 -105.54 -22.39 13.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.874 0.369 . . . . 0.0 110.579 179.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.513 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 9.2 mtt -78.34 -47.07 18.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.978 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -72.09 -64.86 0.86 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -78.36 93.21 4.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -103.29 153.59 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.105 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 7.1 ptt180 . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.743 0.306 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 63.88 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 1.5 p -84.93 54.64 3.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.765 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -86.81 5.34 37.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.838 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.409 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 19.3 t70 -51.55 -26.77 9.21 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.869 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.51 -67.9 0.22 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.741 ' CE ' HD12 ' B' ' 122' ' ' LEU . 1.2 ttp -54.3 -33.61 59.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.11 0.481 . . . . 0.0 109.961 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.741 HD12 ' CE ' ' B' ' 121' ' ' MET . 7.5 mp -65.67 -39.31 91.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.338 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 32.8 ttp85 -90.29 12.75 17.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.102 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -79.34 -69.18 0.6 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.859 0.361 . . . . 0.0 111.458 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.594 HD11 HG23 ' A' ' 45' ' ' VAL . 8.5 mt -80.73 -21.01 41.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.372 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 27.8 mt 59.64 159.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.863 0.364 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -124.84 155.15 18.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.54 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 31.5 m -103.89 177.97 4.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.867 0.365 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.31 -64.27 1.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 40.7 m-70 -114.28 139.19 49.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.861 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.289 0 CA-C-O 120.807 0.336 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.74 152.91 3.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.3 mtm -125.91 -50.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.542 ' O ' HG23 ' A' ' 4' ' ' THR . 10.1 t -177.19 109.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.811 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -106.51 2.07 25.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.568 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.664 ' CD ' HG21 ' A' ' 80' ' ' VAL . 5.3 pt20 -52.69 -25.92 12.41 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.828 0.347 . . . . 0.0 110.85 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -62.99 -32.8 74.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.822 179.614 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.13 -52.07 15.6 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.767 -0.652 . . . . 0.0 110.942 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -56.83 -35.44 68.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.851 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.575 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -46.99 -58.57 3.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.405 179.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 mtp180 -52.59 -27.07 15.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.944 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.84 -19.47 20.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.252 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.89 -25.63 61.15 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.988 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.501 HD22 ' HE1' ' A' ' 86' ' ' MET . 7.4 mt -112.11 165.63 11.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.955 0.407 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -82.85 160.51 22.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.678 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -50.04 -28.11 6.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.082 0.468 . . . . 0.0 110.188 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.11 -54.92 38.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.658 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.0 -18.99 60.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.21 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.5 mt -82.56 -63.86 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.917 0.389 . . . . 0.0 110.75 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.84 -26.34 2.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -86.45 -32.8 20.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.104 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -33.61 72.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.753 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 6.3 tptp -74.3 -15.91 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.722 179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -44.7 -77.22 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.315 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.864 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -76.52 -0.91 24.84 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.494 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.6 OUTLIER -50.59 -29.29 10.49 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.762 0.315 . . . . 0.0 111.376 -179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -80.19 -62.23 1.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.989 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtm -57.26 -26.9 61.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.563 ' CE1' HG11 ' A' ' 45' ' ' VAL . 2.1 m-85 -55.83 -69.5 0.14 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -59.08 119.72 7.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.83 -51.05 5.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.877 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -87.56 -28.26 22.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.752 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.93 38.56 13.31 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.608 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.94 37.87 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.525 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -156.37 24.89 0.52 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.499 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 56.45 -176.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.902 0.382 . . . . 0.0 111.053 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.488 HD13 ' CG ' ' A' ' 29' ' ' PHE . 79.6 mt -97.97 125.87 51.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.139 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.87 -164.86 1.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.705 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.942 HG22 HD12 ' A' ' 62' ' ' ILE . 57.6 p -70.11 -37.51 75.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -73.43 -35.94 65.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.124 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.23 -24.18 67.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.264 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.443 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -79.14 -56.95 3.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.331 -179.558 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.88 -27.69 6.69 Favored Glycine 0 C--N 1.33 0.228 0 C-N-CA 120.816 -0.706 . . . . 0.0 112.822 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -58.64 -78.26 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.13 0.49 . . . . 0.0 111.154 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.864 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.5 p -61.38 -28.69 44.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.988 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -32.73 62.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.689 -0.232 . . . . 0.0 111.624 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -83.03 -28.1 29.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.609 0.242 . . . . 0.0 111.412 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.576 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -93.02 10.19 32.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.543 -0.298 . . . . 0.0 111.497 -179.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.09 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.9 mt -119.19 -39.97 2.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.7 0.286 . . . . 0.0 111.136 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.04 -39.23 0.34 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.637 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -67.96 156.95 36.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.807 0.336 . . . . 0.0 110.833 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.462 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 4.1 t-20 -144.14 48.88 0.95 Allowed Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.215 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.492 ' HG2' HD21 ' A' ' 58' ' ' LEU . 58.3 Cg_endo -71.69 116.89 4.88 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.41 2.073 . . . . 0.0 112.228 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.6 p -58.38 179.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.023 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.61 -49.12 78.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.45 -30.98 72.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.43 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -60.38 -64.28 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.492 HD21 ' HG2' ' A' ' 53' ' ' PRO . 4.7 mt -62.91 -30.67 71.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.674 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.545 ' OD1' HG21 ' A' ' 39' ' ' THR . 4.4 m-20 -64.69 -28.13 69.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.762 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.65 -30.54 61.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.608 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 65' ' ' VAL . 3.2 mp -79.9 -60.97 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.338 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.942 HD12 HG22 ' A' ' 39' ' ' THR . 39.3 mt -44.63 -44.65 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.156 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.1 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -57.84 -38.0 74.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.429 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -78.4 -33.38 48.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.158 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.523 HG22 ' HA ' ' A' ' 81' ' ' MET . 72.8 t -68.03 -54.69 20.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.62 179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -69.57 112.87 6.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.097 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -99.08 28.39 4.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -149.16 22.1 0.96 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.188 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.43 48.19 55.2 Favored Glycine 0 C--N 1.332 0.326 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.697 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -111.81 -27.75 8.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.516 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 66.95 14.55 63.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.59 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.9 p -116.38 144.7 43.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.81 0.338 . . . . 0.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.465 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 49.9 mt -103.6 108.04 23.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.247 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.82 -167.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.003 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.29 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.531 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.5 mp0 -65.57 -21.24 66.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.022 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.4 mt-10 -52.57 -26.93 14.75 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.524 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 35.9 t80 -70.11 -14.42 62.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.88 179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.824 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 mp -95.07 -32.36 13.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.804 0.335 . . . . 0.0 110.816 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.664 HG21 ' CD ' ' A' ' 6' ' ' GLN . 6.0 p -79.03 -29.54 14.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.067 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.524 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 2.8 ptm -53.11 -41.09 64.67 Favored 'General case' 0 CA--C 1.518 -0.283 0 CA-C-O 121.547 0.689 . . . . 0.0 110.09 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.856 ' HE3' ' HB3' ' B' ' 118' ' ' ALA . 5.3 mtt -78.21 -33.18 50.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.627 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.824 HG23 ' O ' ' A' ' 79' ' ' LEU . 52.9 t -67.38 -22.76 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.965 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.74 -16.84 49.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.122 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -108.9 -35.55 6.34 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.97 0.414 . . . . 0.0 110.481 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.529 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 7.0 mtt -60.27 -58.95 6.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.794 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.422 ' HD3' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.77 81.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -153.62 164.88 37.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -58.97 89.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.259 -0.877 . . . . 0.0 111.06 179.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.705 0.288 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 22.2 ttt -89.39 162.66 15.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.815 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 13.2 p 58.49 35.34 24.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.016 0.436 . . . . 0.0 110.725 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.856 ' HB3' ' HE3' ' A' ' 82' ' ' MET . . . -79.04 0.73 26.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.395 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -47.23 -27.47 1.52 Allowed 'General case' 0 CA--C 1.528 0.101 0 CA-C-O 120.722 0.296 . . . . 0.0 111.509 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.05 -67.7 0.24 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.811 0.338 . . . . 0.0 111.06 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.705 ' HG3' HD12 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -54.61 -32.25 58.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.005 0.431 . . . . 0.0 110.121 179.333 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.653 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.58 -37.85 83.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.266 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -90.16 0.65 57.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.009 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.09 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -66.86 -71.91 0.18 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.878 0.37 . . . . 0.0 111.691 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.666 HD11 HG23 ' A' ' 45' ' ' VAL . 7.0 mt -76.81 -24.63 52.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.285 -179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.5 mt 57.49 171.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -140.98 91.83 0.18 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.0 p -82.62 171.16 14.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.794 0.33 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -142.39 156.16 45.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -78.33 157.81 29.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.966 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.83 0.348 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -168.27 92.63 0.34 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.825 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.7 mmt -143.49 -47.15 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.468 ' O ' HG23 ' A' ' 4' ' ' THR . 8.9 t -162.34 114.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -111.91 2.12 16.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.444 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -51.43 -26.16 7.56 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.712 0.291 . . . . 0.0 111.149 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.471 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -61.33 -34.17 74.83 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-O 121.112 0.482 . . . . 0.0 110.578 179.545 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.46 -52.88 16.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.829 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -57.42 -35.04 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.137 0.494 . . . . 0.0 109.969 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -49.65 -57.61 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.096 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -26.64 15.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.837 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.95 -20.51 19.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.269 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 49.3 t80 -74.67 -27.15 60.29 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.837 0.351 . . . . 0.0 111.023 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.3 mt -107.62 167.31 10.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.959 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.63 162.61 18.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.674 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -50.35 -27.21 5.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.1 0.476 . . . . 0.0 110.207 179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 0.9 OUTLIER -59.53 -60.13 4.34 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.779 179.504 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.428 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -53.27 -24.19 10.85 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.6 mt -80.14 -63.66 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.745 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -50.93 -26.88 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.992 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.443 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 16.8 mt-10 -88.9 -27.96 20.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.046 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.47 ' CZ ' ' HA ' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -63.9 -42.77 97.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.125 179.304 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.424 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -69.21 -14.7 63.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.852 179.576 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -48.75 -68.76 0.15 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.026 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.71 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -80.91 -2.43 47.56 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.424 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 18.1 t80 -53.82 -24.84 16.85 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.719 0.295 . . . . 0.0 111.296 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -83.52 -61.64 1.79 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.784 0.326 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.403 ' HG3' HD13 ' B' ' 125' ' ' LEU . 4.1 mmt -54.83 -27.28 40.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.051 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.551 ' CE1' HG11 ' A' ' 45' ' ' VAL . 3.2 m-85 -57.69 -75.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.991 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -55.81 119.82 6.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.163 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.62 -51.87 5.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.843 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -82.89 -27.93 30.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.767 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 72.62 94.75 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 151.65 -25.85 0.95 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.549 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.1 -111.37 3.01 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.523 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 32.3 m-20 -158.49 -173.49 4.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.819 0.343 . . . . 0.0 110.832 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 73' ' ' ILE . 70.4 mt -93.98 122.32 45.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.195 -179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 p -107.0 -164.42 0.98 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.645 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.843 HG22 HD12 ' A' ' 62' ' ' ILE . 68.4 p -68.17 -30.37 69.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.066 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.78 -40.66 32.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.09 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.22 -24.94 68.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.237 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.812 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.07 -51.17 9.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.232 -179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.75 -20.23 39.05 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.616 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.642 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.5 m -65.6 -79.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.992 0.425 . . . . 0.0 111.254 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.642 ' N ' HG22 ' A' ' 44' ' ' THR . 3.2 p -56.5 -38.75 57.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.169 -178.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.487 ' SD ' ' HE2' ' B' ' 121' ' ' MET . 2.5 mmt -65.07 -24.43 67.45 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 121.076 -0.25 . . . . 0.0 111.625 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -88.96 -28.99 19.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.728 0.299 . . . . 0.0 111.419 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.547 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.0 OUTLIER -94.05 10.13 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.528 -179.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.038 HD22 ' HB1' ' B' ' 124' ' ' ALA . 34.7 mt -115.96 -40.28 3.34 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.853 0.359 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 157.14 -34.79 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.364 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.9 168.9 10.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.711 0.291 . . . . 0.0 110.564 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 53' ' ' PRO . 1.7 t30 -144.19 44.93 0.5 Allowed Pre-proline 0 C--N 1.329 -0.326 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 52' ' ' ASN . 52.1 Cg_exo -52.44 107.83 0.21 Allowed 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 121.92 1.747 . . . . 0.0 112.068 179.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -60.41 167.88 2.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -57.03 -28.49 62.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 21.1 p -85.95 -33.32 21.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.622 ' O ' HD12 ' A' ' 61' ' ' ILE . 17.6 mt-10 -58.25 -60.19 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.969 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.812 HD22 ' HB3' ' A' ' 42' ' ' LEU . 3.0 mt -63.72 -32.48 73.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.669 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -67.95 -25.23 65.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.688 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.37 -33.03 37.57 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.718 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.622 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mp -78.64 -57.39 5.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.441 179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.843 HD12 HG22 ' A' ' 39' ' ' THR . 52.3 mt -46.88 -45.14 7.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.973 179.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.3 t -59.27 -34.06 71.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.341 179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -82.65 -33.31 27.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.223 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.508 ' CG1' ' HB3' ' A' ' 81' ' ' MET . 72.3 t -68.1 -49.69 65.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.632 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.98 117.65 16.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.088 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -102.7 28.03 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -148.6 21.5 1.03 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.142 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 51.07 56.9 12.39 Favored Glycine 0 C--N 1.331 0.296 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.73 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 p -119.58 -35.44 3.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.682 0.277 . . . . 0.0 111.159 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 79.1 4.9 89.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.634 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.426 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.6 p -110.19 144.67 38.51 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.836 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.549 HG21 ' HD1' ' A' ' 78' ' ' PHE . 34.0 mt -105.21 119.0 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.366 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.42 -169.2 1.35 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.073 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -58.84 -81.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.945 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.506 ' HA ' HD12 ' A' ' 79' ' ' LEU . 13.4 mp0 -60.82 -29.11 69.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.711 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 81' ' ' MET . 1.8 mt-10 -53.23 -26.41 17.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.187 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.549 ' HD1' HG21 ' A' ' 73' ' ' ILE . 19.3 t80 -71.59 -11.98 61.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.096 179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' ' 76' ' ' GLU . 1.2 mp -95.54 -45.49 7.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.948 0.404 . . . . 0.0 110.048 178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.471 ' HB ' ' HA ' ' A' ' 7' ' ' GLN . 8.4 p -62.2 -30.3 48.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.917 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.508 ' HB3' ' CG1' ' A' ' 65' ' ' VAL . 2.1 ptm -53.57 -42.74 67.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.155 0.502 . . . . 0.0 110.381 179.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.912 ' HE3' HD21 ' B' ' 122' ' ' LEU . 3.2 ttm -80.08 -28.91 39.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.482 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 79' ' ' LEU . 73.5 t -63.41 -30.86 50.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.551 179.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -77.26 -18.48 57.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.104 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -108.12 -14.61 14.69 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.037 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.523 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.4 mtm -81.98 -56.58 3.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.964 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.487 ' HD3' HG12 ' A' ' 83' ' ' VAL . 6.4 ptmt -77.65 75.64 4.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.83 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.75 32.23 2.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.963 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -177.31 -46.21 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.236 -0.888 . . . . 0.0 111.127 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.436 0 CA-C-O 120.638 0.256 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 1.6 ttm -70.83 -66.21 0.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.865 0.364 . . . . 0.0 110.947 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.1 p -85.6 53.75 2.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.297 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.602 ' HB3' ' HE1' ' A' ' 82' ' ' MET . . . -76.95 -5.65 49.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.798 179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' B' ' 123' ' ' ARG . 28.4 t70 -42.79 -27.92 0.21 Allowed 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.93 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -46.56 -66.09 0.46 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.619 0.247 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.487 ' HE2' ' SD ' ' A' ' 46' ' ' MET . 0.1 OUTLIER -55.26 -39.85 70.28 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.171 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.912 HD21 ' HE3' ' A' ' 82' ' ' MET . 7.6 mp -60.34 -32.61 71.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.07 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.414 ' HA ' ' HB2' ' B' ' 126' ' ' LEU . 16.7 ttt85 -90.13 -19.83 23.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.897 179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.038 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -56.94 -69.69 0.15 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.886 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 25' ' ' ALA . 9.0 mt -82.75 3.35 29.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.902 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.42 HD12 ' OE2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -40.85 -65.06 0.46 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.753 0.311 . . . . 0.0 111.507 179.874 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -95.42 141.81 15.76 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.572 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 30.9 t -153.46 -51.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.83 0.347 . . . . 0.0 110.924 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.67 -65.97 0.42 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -93.84 134.47 36.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.912 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.7 p -96.88 154.27 17.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.7 mtm -153.29 -64.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.847 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 4' ' ' THR . 11.3 t -150.03 119.25 6.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.847 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.17 2.3 54.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -50.17 -38.38 39.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.737 0.303 . . . . 0.0 111.297 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.473 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 2.3 mp0 -64.64 -17.3 63.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.899 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.3 -50.55 5.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -58.26 -43.05 87.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.444 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.928 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.66 -57.78 2.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.532 179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.674 ' HA ' HD22 ' A' ' 79' ' ' LEU . 2.9 mtt180 -52.81 -29.3 26.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.709 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.4 -22.02 21.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.174 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.27 -19.75 63.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.07 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.596 HD12 HD23 ' A' ' 79' ' ' LEU . 9.9 mt -116.28 163.55 15.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.855 0.359 . . . . 0.0 111.109 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.63 163.64 23.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -50.04 -27.76 6.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.14 0.495 . . . . 0.0 110.025 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.97 -58.62 7.2 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.641 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.411 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -58.41 -21.63 51.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.068 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.552 HD11 ' O ' ' A' ' 11' ' ' ARG . 57.1 mt -82.09 -64.14 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.923 0.392 . . . . 0.0 110.536 179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.05 -26.32 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' HB3' ' B' ' 122' ' ' LEU . 27.6 mt-10 -87.63 -30.95 20.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.166 179.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.2 -35.29 76.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.874 179.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tptt -78.61 -9.18 59.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.84 179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.96 -72.2 0.06 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.338 -0.392 . . . . 0.0 112.017 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.619 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -79.58 -0.93 35.64 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 12.5 t80 -52.75 -25.14 10.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.681 0.276 . . . . 0.0 111.48 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -82.27 -65.95 0.95 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.066 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -53.71 -26.46 23.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.022 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.555 ' CE1' HG11 ' A' ' 45' ' ' VAL . 1.5 m-85 -55.85 -70.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -57.16 119.58 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.077 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.31 -51.51 5.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.968 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -81.06 -25.92 36.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.841 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 85.26 38.73 8.86 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.562 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 167.48 41.06 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.543 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -148.66 20.29 1.3 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.677 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 94.4 m-20 56.04 -174.4 0.06 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.917 0.389 . . . . 0.0 111.001 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.561 HG23 ' HB2' ' A' ' 41' ' ' GLU . 79.3 mt -101.42 129.92 51.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.096 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.8 t -111.66 -164.11 0.89 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.693 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.755 HG21 ' OD1' ' A' ' 59' ' ' ASP . 66.9 p -70.22 -23.88 63.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.21 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.65 -37.56 17.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.203 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.561 ' HB2' HG23 ' A' ' 37' ' ' ILE . 9.8 mt-10 -64.49 -18.02 64.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.48 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.626 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -81.25 -57.33 3.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.641 0.258 . . . . 0.0 111.256 -179.782 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.48 -26.8 5.39 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.676 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.631 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.5 m -58.72 -79.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.986 0.422 . . . . 0.0 111.172 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.706 HG22 HD12 ' A' ' 49' ' ' LEU . 6.2 p -60.02 -32.67 50.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.973 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.4 mmt -68.49 -32.09 71.82 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.652 0.242 . . . . 0.0 111.652 -179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.7 mtp-105 -83.32 -28.51 28.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.638 0.256 . . . . 0.0 111.563 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.586 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -94.12 10.29 34.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.566 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.977 HD22 ' HB1' ' B' ' 124' ' ' ALA . 22.5 mt -118.71 -40.93 2.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 160.52 -36.32 0.43 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.508 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tp60 -67.91 163.54 21.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.743 0.306 . . . . 0.0 110.617 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 9.5 t30 -144.22 46.67 0.66 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.597 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.784 ' HG2' HD21 ' A' ' 58' ' ' LEU . 98.2 Cg_endo -77.63 107.66 2.42 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.238 1.959 . . . . 0.0 111.978 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.0 t -60.54 178.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mttt -56.45 -32.64 65.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.9 t -73.79 -44.18 56.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.935 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 61' ' ' ILE . 14.3 mm-40 -56.85 -45.82 82.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.784 HD21 ' HG2' ' A' ' 53' ' ' PRO . 1.2 mt -78.76 -22.63 46.16 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.755 ' OD1' HG21 ' A' ' 39' ' ' THR . 1.8 m-20 -71.99 -27.88 63.04 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.997 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.51 56.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -80.37 -59.66 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.736 HD12 HG22 ' A' ' 39' ' ' THR . 51.8 mt -44.75 -47.92 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.141 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.161 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.9 t -52.38 -34.01 45.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.357 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -83.68 -32.83 25.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.969 179.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.581 HG22 ' HA ' ' A' ' 81' ' ' MET . 39.8 t -64.4 -50.67 75.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.516 179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.5 103.0 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.191 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' OE2' HG21 ' A' ' 4' ' ' THR . 4.7 pm0 -71.53 -26.36 62.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.815 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.88 -26.59 17.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.2 56.77 1.54 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.237 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.36 -15.55 12.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.63 0.253 . . . . 0.0 111.465 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.55 4.17 69.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.623 -0.798 . . . . 0.0 112.229 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.45 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 21.2 p -114.57 138.79 50.21 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.831 0.348 . . . . 0.0 110.742 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.477 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.7 mt -98.85 110.48 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.479 -179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -170.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -60.09 -78.32 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.7 mm-40 -65.63 -20.21 66.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.1 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -55.69 -22.83 25.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.218 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 24.9 t80 -70.98 -9.59 58.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.694 0.283 . . . . 0.0 111.003 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.896 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -95.42 -39.75 9.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.902 0.382 . . . . 0.0 109.984 179.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.928 HG22 ' HB2' ' A' ' 10' ' ' ALA . 43.5 t -65.81 -32.73 59.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.699 179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.581 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.2 ptm -52.93 -41.55 64.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.75 ' CE ' HD21 ' B' ' 122' ' ' LEU . 4.0 ttm -84.7 -30.49 24.73 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.417 -0.811 . . . . 0.0 110.498 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.896 HG23 ' O ' ' A' ' 79' ' ' LEU . 96.3 t -63.04 -37.92 80.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.781 179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.38 -15.94 63.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.382 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -109.3 -24.57 11.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.558 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 7.4 mtt -73.79 -44.89 54.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.8 mtpt -69.78 -33.12 71.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.823 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -165.85 141.37 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.88 30.94 3.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.107 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 . . . . . 0 N--CA 1.488 1.469 0 CA-C-O 120.667 0.27 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 2.1 ttm -84.01 172.55 11.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.0 p 53.76 28.4 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.533 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -67.62 -10.83 55.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.239 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.501 ' HA ' HD22 ' B' ' 122' ' ' LEU . 24.8 t70 -41.22 -28.13 0.09 Allowed 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -48.09 -61.01 2.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.631 0.253 . . . . 0.0 111.061 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.432 ' HG3' HD12 ' A' ' 49' ' ' LEU . 0.6 OUTLIER -58.44 -37.16 74.83 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 179.063 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.75 HD21 ' CE ' ' A' ' 82' ' ' MET . 5.2 mp -62.57 -39.91 95.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.07 179.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.57 13.91 14.62 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.977 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -86.4 -72.39 0.5 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.915 0.388 . . . . 0.0 111.515 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.619 HD12 ' HB2' ' A' ' 25' ' ' ALA . 6.3 mt -75.47 -10.58 59.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.632 -179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -170.17 106.18 0.32 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -158.85 -125.05 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.598 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.24 -73.51 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 111.002 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 15.4 ptmt -87.52 146.65 25.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -143.18 31.34 1.38 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 22.5 mttt . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.948 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.75 142.38 50.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.4 mtt -134.77 -55.88 0.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.496 ' O ' HG23 ' A' ' 4' ' ' THR . 11.2 t -154.28 112.66 3.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -83.54 2.03 39.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.459 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.631 ' HG3' HG21 ' A' ' 80' ' ' VAL . 13.8 pt20 -52.92 -27.58 19.44 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.83 0.347 . . . . 0.0 111.216 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.445 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.5 mt-30 -73.1 -18.98 61.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.117 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.58 -49.22 7.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.023 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.96 -37.15 73.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.142 0.496 . . . . 0.0 109.773 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -46.97 -57.31 5.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.312 179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.454 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.1 OUTLIER -53.27 -25.92 16.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.849 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.95 -20.12 19.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.237 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -77.41 -27.16 52.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.972 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.509 HD22 ' HE1' ' A' ' 86' ' ' MET . 13.9 mt -105.23 154.59 20.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.984 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.1 161.23 29.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.617 179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -49.95 -27.94 6.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.197 0.522 . . . . 0.0 110.13 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -61.73 -53.74 52.0 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.645 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -21.99 63.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.101 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 65.4 mt -80.92 -64.75 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 CA-C-O 120.978 0.418 . . . . 0.0 110.643 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.23 -25.93 1.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -87.75 -32.69 18.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.147 179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.24 -33.47 72.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.904 179.186 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -74.98 -17.26 60.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.93 179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -44.23 -74.04 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 112.19 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.74 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -75.82 -3.52 35.54 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.454 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 43.9 t80 -52.36 -27.09 14.16 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.799 0.333 . . . . 0.0 111.229 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.78 -61.09 2.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mmt -57.68 -28.28 63.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.556 ' CE1' HG11 ' A' ' 45' ' ' VAL . 3.0 m-85 -57.01 -74.35 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -55.42 119.15 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.158 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.9 -46.97 6.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.883 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -66.15 -19.85 65.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.981 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 145.09 -82.69 0.2 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.486 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -141.53 60.29 0.55 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -104.25 -112.25 3.68 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.436 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 52.3 m-20 -134.48 -170.75 2.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.558 HG23 ' HB2' ' A' ' 41' ' ' GLU . 51.2 mt -123.34 129.48 74.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.59 -163.69 0.87 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.567 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.489 ' CG2' HD12 ' A' ' 62' ' ' ILE . 3.3 p -65.21 -27.17 68.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -80.87 -49.86 10.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.155 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.558 ' HB2' HG23 ' A' ' 37' ' ' ILE . 8.9 mt-10 -55.88 -22.73 27.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.374 -179.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.561 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.43 -43.91 16.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.712 0.291 . . . . 0.0 111.124 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -66.66 -9.98 53.18 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.808 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -78.46 -75.76 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.13 0.49 . . . . 0.0 111.232 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.74 HG21 ' CB ' ' A' ' 25' ' ' ALA . 5.9 p -58.48 -37.53 64.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.301 -178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 42' ' ' LEU . 2.4 mtp -68.25 -30.2 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -179.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 63.7 mtp180 -81.3 -29.88 34.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.728 0.299 . . . . 0.0 111.297 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.515 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -94.11 10.18 34.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.531 -179.682 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.042 HD22 ' HB1' ' B' ' 124' ' ' ALA . 20.1 mt -117.85 -40.42 3.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.59 -39.23 0.36 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.627 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.95 160.39 28.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.727 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.441 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 t30 -144.19 51.13 1.41 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.242 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.666 ' HG2' HD21 ' A' ' 58' ' ' LEU . 61.5 Cg_endo -73.77 108.4 2.63 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.458 2.106 . . . . 0.0 112.158 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -55.78 -177.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.59 -55.23 37.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 7.4 p -58.98 -31.66 68.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -61.62 2.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.803 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.666 HD21 ' HG2' ' A' ' 53' ' ' PRO . 8.1 mt -67.32 -32.82 74.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.597 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -65.03 -27.53 68.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.789 179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.0 -31.11 62.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.979 0.418 . . . . 0.0 110.726 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.402 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.4 mp -80.5 -60.05 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.336 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.489 HD12 ' CG2' ' A' ' 39' ' ' THR . 41.9 mt -45.63 -39.79 2.88 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.216 179.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.6 t -62.8 -40.36 97.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.649 179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -37.99 62.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.533 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.62 HG11 ' HB3' ' A' ' 81' ' ' MET . 60.0 t -66.12 -61.69 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.788 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -57.35 92.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.035 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.94 -29.89 68.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -82.84 -28.2 30.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.42 58.19 1.67 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.523 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 p -115.7 -30.21 6.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.75 0.309 . . . . 0.0 111.198 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.82 -8.17 80.34 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.351 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 55.1 p -104.82 128.36 52.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.857 0.361 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.414 HD12 HG22 ' A' ' 37' ' ' ILE . 22.3 mt -90.59 107.84 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.214 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.11 -166.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -65.25 -79.85 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.597 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.2 mm-40 -61.24 -22.76 65.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.132 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.442 ' O ' ' HG2' ' A' ' 81' ' ' MET . 5.2 mt-10 -52.74 -29.63 28.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.068 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.597 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.9 t80 -67.2 -14.7 63.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.743 0.306 . . . . 0.0 110.752 179.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.664 ' O ' HG23 ' A' ' 83' ' ' VAL . 0.9 OUTLIER -92.73 -40.98 10.4 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.604 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.631 HG21 ' HG3' ' A' ' 6' ' ' GLN . 6.8 p -69.18 -37.42 76.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.891 179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.62 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.1 ptm -49.04 -41.35 34.69 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.681 0.753 . . . . 0.0 110.201 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.931 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 32.9 mtp -75.6 -30.54 59.62 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 114.33 -1.305 . . . . 0.0 110.772 -179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 79' ' ' LEU . 50.4 t -69.37 -31.41 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.677 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -22.39 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.156 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -106.04 -20.43 13.42 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.55 -0.295 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.509 ' HE1' HD22 ' A' ' 14' ' ' LEU . 6.2 mtm -75.8 -40.37 55.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.946 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.457 ' HD3' HG12 ' A' ' 83' ' ' VAL . 2.1 mtpp -70.53 66.47 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.763 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -73.73 -69.9 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -161.85 -46.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.954 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.245 -0.884 . . . . 0.0 111.082 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 120.775 0.321 . . . . 0.0 111.286 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.91 -68.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.716 179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 35.6 p -77.14 60.62 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.931 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -81.36 -0.39 41.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.929 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -49.03 -26.51 2.63 Favored 'General case' 0 C--N 1.334 -0.085 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.183 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.69 -69.54 0.12 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.066 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.715 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.7 OUTLIER -54.03 -32.4 54.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.017 0.437 . . . . 0.0 110.194 179.318 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.715 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.5 mp -67.87 -39.24 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.278 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 39.0 ttp85 -90.2 10.64 23.78 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.048 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.042 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.35 -70.34 0.48 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.98 0.419 . . . . 0.0 111.345 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.538 HD11 HG23 ' A' ' 45' ' ' VAL . 8.1 mt -78.73 -14.61 59.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.322 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 11.7 mt 64.37 -75.63 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.121 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.159 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 105.79 85.55 1.83 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.547 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 91.6 p -155.08 94.95 1.68 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.783 0.325 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -98.66 31.32 2.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 60.35 32.73 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.174 -0.917 . . . . 0.0 110.846 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.813 0.339 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -87.05 -177.82 6.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mmt -166.04 -44.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.592 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 4' ' ' THR . 14.1 t -154.63 122.08 5.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.742 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -77.5 -0.75 27.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.753 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.527 ' CD ' HG21 ' A' ' 80' ' ' VAL . 3.9 pt20 -54.5 -23.74 17.62 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.815 0.341 . . . . 0.0 111.197 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.448 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 1.6 mt-30 -79.09 -22.11 45.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.864 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.31 -50.06 10.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.686 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.2 mt-10 -57.08 -37.12 71.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.089 0.471 . . . . 0.0 109.855 179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.462 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.66 -61.28 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.386 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 mtp180 -51.53 -26.98 9.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.867 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.62 -22.2 20.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.13 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' GLU . 1.1 t80 -77.24 -27.03 53.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.71 153.43 21.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.027 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.22 161.3 31.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.534 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.3 -27.29 5.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.055 0.455 . . . . 0.0 110.224 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -61.03 -57.41 12.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.767 179.53 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.438 ' HG2' ' HE1' ' A' ' 86' ' ' MET . 0.1 OUTLIER -54.94 -22.43 14.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.332 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.9 mt -80.31 -63.34 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 120.911 0.386 . . . . 0.0 110.797 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -47.97 -25.67 1.46 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.402 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' B' ' 122' ' ' LEU . 5.7 mm-40 -90.45 -30.82 17.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.18 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CD2' ' HG ' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -60.76 -34.31 74.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.81 179.112 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 10.0 tptt -75.0 -13.14 60.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.734 179.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' B' ' 126' ' ' LEU . . . -44.85 -80.13 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.155 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.828 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -75.31 -6.48 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.512 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -46.17 -29.85 1.72 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.655 0.264 . . . . 0.0 111.53 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -82.07 -59.7 2.48 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.558 ' SD ' HD13 ' B' ' 125' ' ' LEU . 1.6 mpt? -59.26 -26.66 65.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.016 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.758 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -58.69 -71.42 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.957 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -53.86 118.29 3.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.134 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.65 -46.16 6.74 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.049 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -64.61 -18.84 65.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.065 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 144.43 -65.22 0.46 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.586 -0.816 . . . . 0.0 112.487 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -161.92 34.09 0.35 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.584 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.68 -105.71 0.14 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.267 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -139.86 -178.99 5.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.995 0.426 . . . . 0.0 110.924 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.553 HD13 ' CD1' ' A' ' 29' ' ' PHE . 96.8 mt -111.34 118.84 58.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.276 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.3 t -102.78 -162.43 0.92 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.729 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.877 HG22 HD12 ' A' ' 62' ' ' ILE . 76.3 p -69.58 -27.85 65.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.254 -179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.85 -26.54 27.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.421 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -74.31 -21.52 59.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.44 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.786 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -79.29 -61.68 1.93 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.69 0.281 . . . . 0.0 111.081 -179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -46.29 -28.41 3.21 Favored Glycine 0 C--N 1.331 0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.575 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.668 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.65 -76.8 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.988 0.423 . . . . 0.0 110.984 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.828 HG21 ' CB ' ' A' ' 25' ' ' ALA . 8.0 p -64.88 -25.08 36.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.814 -179.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 mmt -76.04 -31.57 58.91 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.621 0.248 . . . . 0.0 111.334 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 56.2 mtp180 -83.79 -31.28 25.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.381 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.68 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.2 OUTLIER -90.13 10.1 25.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.424 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.047 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.6 mt -118.83 -37.83 3.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.752 0.31 . . . . 0.0 111.056 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.21 -34.26 0.66 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.652 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.98 157.25 35.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.795 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.44 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.9 t-20 -144.18 50.3 1.23 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.129 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.617 ' HG2' HD21 ' A' ' 58' ' ' LEU . 47.9 Cg_endo -68.35 107.85 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.461 2.107 . . . . 0.0 112.038 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.608 HG22 ' HG3' ' A' ' 57' ' ' GLU . 1.7 t -54.34 173.33 0.08 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.001 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.06 -23.76 21.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.363 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 54.3 m -83.57 -30.3 27.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.783 0.325 . . . . 0.0 111.306 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.608 ' HG3' HG22 ' A' ' 54' ' ' THR . 3.7 mt-10 -66.45 -54.18 26.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.106 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.786 HD22 ' HB3' ' A' ' 42' ' ' LEU . 5.4 mt -71.4 -15.01 62.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.361 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -83.7 -29.39 27.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.831 0.348 . . . . 0.0 110.789 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.62 -32.43 62.3 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.735 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.509 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.5 mp -78.93 -64.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.292 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.877 HD12 HG22 ' A' ' 39' ' ' THR . 50.2 mt -44.77 -31.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.75 -41.26 65.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -75.31 -40.81 58.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.478 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.605 HG11 ' HB3' ' A' ' 81' ' ' MET . 46.2 t -63.85 -50.84 75.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.834 179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -75.83 80.66 2.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.934 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -30.22 70.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.812 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -76.49 -28.59 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.54 58.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 p -116.43 -31.87 5.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.762 0.315 . . . . 0.0 111.2 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.91 -10.33 74.23 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.406 -179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 67.7 p -104.96 138.8 40.62 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.882 0.372 . . . . 0.0 110.758 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.471 HG23 ' HB3' ' A' ' 77' ' ' GLU . 36.1 mt -97.95 116.55 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.167 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -63.53 -171.89 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.161 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -62.16 -69.08 0.27 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.077 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.416 ' CB ' ' HB3' ' A' ' 7' ' ' GLN . 13.7 mp0 -70.65 -25.33 62.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.148 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 81' ' ' MET . 11.2 mt-10 -51.49 -25.63 6.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.469 -179.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.522 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 9.6 t80 -67.35 -14.22 62.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.618 -0.264 . . . . 0.0 111.125 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.599 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.4 mp -95.32 -44.96 7.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.869 0.366 . . . . 0.0 110.284 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.527 HG21 ' CD ' ' A' ' 6' ' ' GLN . 9.0 p -64.51 -29.97 48.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.893 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.605 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.1 ptm -53.94 -42.55 68.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.115 0.484 . . . . 0.0 110.252 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.681 ' CE ' HD21 ' B' ' 122' ' ' LEU . 3.7 ttm -79.74 -30.89 40.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.714 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 79' ' ' LEU . 87.7 t -61.53 -42.42 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.797 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.82 -17.24 64.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.396 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -108.48 -23.9 11.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.448 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.9 mtm -74.68 -39.93 61.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.868 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.5 mtpt -70.1 -50.76 37.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 58.53 91.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -94.57 -31.63 13.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.054 179.906 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' B' ' 117' ' ' SER . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.686 0.279 . . . . 0.0 111.145 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 65.5 -70.22 0.1 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.047 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.417 ' N ' ' O ' ' B' ' 115' ' ' ARG . 17.2 p -90.66 39.38 0.98 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.576 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -69.7 -10.96 60.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.023 179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.437 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 42.9 t0 -43.29 -28.83 0.35 Allowed 'General case' 0 CA--C 1.527 0.059 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.671 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -50.36 -61.01 2.42 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.661 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.0 ttp -59.62 -33.3 71.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.007 0.432 . . . . 0.0 109.9 179.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.681 HD21 ' CE ' ' A' ' 82' ' ' MET . 9.2 mp -66.61 -37.05 84.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.908 179.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 6.2 ttt-85 -90.42 11.76 20.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.616 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.047 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -78.93 -68.36 0.66 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.012 0.434 . . . . 0.0 111.821 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.612 HD11 HG23 ' A' ' 45' ' ' VAL . 10.9 mt -77.06 -20.57 55.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.783 -178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.783 HD12 ' HA ' ' A' ' 24' ' ' ALA . 16.9 mt -146.83 119.07 8.31 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 120.892 0.377 . . . . 0.0 111.162 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -160.23 40.55 0.45 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 33.8 p -108.97 162.25 14.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.338 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.05 123.69 16.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -74.73 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.889 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.84 0.352 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.8 p -87.15 116.86 25.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.1 mtm -154.68 -171.89 4.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.567 ' O ' HG23 ' A' ' 4' ' ' THR . 12.0 t -77.13 107.01 9.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.866 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -104.47 2.21 30.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.437 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.791 ' HG3' HG21 ' A' ' 80' ' ' VAL . 16.5 pt20 -49.74 -28.81 6.63 Favored 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.743 0.306 . . . . 0.0 111.256 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.513 ' NE2' HG23 ' A' ' 4' ' ' THR . 3.6 mt-30 -69.87 -25.68 63.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.03 -49.86 9.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 2.8 mm-40 -55.61 -37.05 67.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.174 0.511 . . . . 0.0 109.744 179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.77 -57.29 4.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.181 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.48 -27.84 17.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.027 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.17 -19.91 20.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.266 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' CD2' HG11 ' A' ' 83' ' ' VAL . 6.6 m-85 -74.83 -18.66 60.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.235 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.758 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -120.97 168.09 11.88 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.939 0.399 . . . . 0.0 111.013 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.53 162.06 17.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.728 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.36 -27.76 6.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.095 0.474 . . . . 0.0 110.215 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.1 -57.24 13.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.674 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.758 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.51 -20.82 33.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.184 179.866 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 53.5 mt -81.01 -61.35 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-O 120.938 0.399 . . . . 0.0 110.801 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.9 -27.08 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.267 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.731 ' HG2' HD12 ' B' ' 126' ' ' LEU . 16.2 mt-10 -88.68 -31.26 18.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.877 179.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.698 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -59.82 -34.56 73.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.142 179.182 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.75 -15.08 60.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.962 179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -45.11 -75.43 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.655 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -71.77 -4.74 29.45 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.431 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.2 t80 -46.76 -28.33 1.49 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.69 0.281 . . . . 0.0 111.593 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -86.5 -56.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.777 0.322 . . . . 0.0 111.218 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.489 ' HG3' HD13 ' B' ' 125' ' ' LEU . 1.2 mmt -58.37 -35.11 71.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.166 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.702 ' CD1' HD13 ' A' ' 37' ' ' ILE . 1.7 m-85 -54.51 -75.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -58.17 119.02 6.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.022 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.68 -50.98 5.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.816 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -88.96 -29.47 19.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.724 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.12 54.14 5.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.587 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.0 37.98 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.622 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -166.67 28.85 0.18 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.647 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.462 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 97.2 m-20 52.72 -173.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.702 HD13 ' CD1' ' A' ' 29' ' ' PHE . 81.1 mt -96.57 126.95 49.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.77 -164.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.734 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.915 HG22 HD12 ' A' ' 62' ' ' ILE . 51.3 p -66.86 -43.49 83.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.102 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mtmt -66.93 -41.76 86.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.162 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.51 -22.69 45.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.388 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.69 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -81.5 -60.33 2.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.754 0.312 . . . . 0.0 111.043 -179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.427 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -46.29 -26.98 2.54 Favored Glycine 0 C--O 1.228 -0.244 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.953 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.64 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.8 m -65.01 -80.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.01 0.434 . . . . 0.0 111.149 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.685 HG23 HD11 ' B' ' 125' ' ' LEU . 4.0 p -57.11 -36.22 50.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.15 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.623 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -67.59 -32.41 73.14 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -178.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 7.6 mtp-105 -84.64 -27.56 27.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.659 0.266 . . . . 0.0 111.689 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.679 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.4 OUTLIER -92.82 10.17 32.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.63 -179.556 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.031 HD22 ' HB1' ' B' ' 124' ' ' ALA . 15.2 mt -119.81 -39.93 2.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.698 0.285 . . . . 0.0 111.135 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.82 -38.42 0.32 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -68.02 161.3 26.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.806 0.336 . . . . 0.0 110.67 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.468 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.8 t-20 -144.16 48.52 0.9 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.387 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.82 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.5 Cg_endo -75.62 107.84 2.56 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.434 2.09 . . . . 0.0 112.12 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -61.34 -175.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' HE3' HG21 ' A' ' 39' ' ' THR . 5.7 tptm -58.72 -39.53 81.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.58 -36.32 73.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.553 ' O ' HD12 ' A' ' 61' ' ' ILE . 4.8 mm-40 -62.51 -53.37 55.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.82 HD21 ' HG2' ' A' ' 53' ' ' PRO . 4.3 mt -70.82 -28.42 64.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.013 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.14 -26.17 65.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.829 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 -30.18 47.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.553 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.9 mp -83.03 -60.93 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.551 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.915 HD12 HG22 ' A' ' 39' ' ' THR . 48.2 mt -43.23 -40.95 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.134 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 9.4 t -60.02 -45.9 91.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.412 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -74.62 -33.24 62.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 179.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.636 HG22 ' HA ' ' A' ' 81' ' ' MET . 76.8 t -64.7 -48.2 85.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.565 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -77.8 119.14 20.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.043 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -89.24 -26.44 21.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.931 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -99.3 20.23 14.01 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.245 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.46 53.44 20.41 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.662 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.73 -18.36 13.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.25 . . . . 0.0 111.329 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.41 11.46 62.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.554 -0.831 . . . . 0.0 112.358 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.462 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 56.5 p -117.23 148.28 41.77 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.849 0.357 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.623 HG23 ' HB3' ' A' ' 77' ' ' GLU . 24.3 mt -115.55 110.1 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.488 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -73.31 -167.19 0.4 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.756 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -55.95 -79.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.722 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.26 -30.03 61.87 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.731 -179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.623 ' HB3' HG23 ' A' ' 73' ' ' ILE . 5.2 mt-10 -54.44 -28.77 46.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.361 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.553 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 10.8 t80 -64.26 -15.81 60.85 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.378 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.788 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 mp -95.5 -44.75 7.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 110.411 179.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.791 HG21 ' HG3' ' A' ' 6' ' ' GLN . 8.5 p -64.32 -32.51 57.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.655 179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.636 ' HA ' HG22 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -50.77 -42.77 58.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.573 179.575 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.746 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.2 OUTLIER -86.55 -24.78 25.33 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.075 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.94 HG13 ' HE2' ' A' ' 87' ' ' LYS . 91.9 t -65.64 -39.35 84.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.978 0.418 . . . . 0.0 110.42 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -69.65 -16.0 63.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.038 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -103.47 -30.92 10.24 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.975 0.417 . . . . 0.0 110.37 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.514 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 8.0 mtt -67.93 -56.1 10.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.693 179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.94 ' HE2' HG13 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -74.59 -46.28 39.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.782 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.63 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -103.98 87.68 2.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.91 0.386 . . . . 0.0 110.9 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.19 -0.91 . . . . 0.0 111.101 -179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.825 0.345 . . . . 0.0 111.295 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 4.3 ttt -72.47 151.16 42.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 24.2 t 56.56 39.12 30.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.099 0.476 . . . . 0.0 111.047 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.746 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -82.47 4.83 22.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.643 178.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -45.14 -28.85 0.8 Allowed 'General case' 0 C--N 1.338 0.082 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.893 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -56.38 -63.2 1.27 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.695 179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.768 ' HG3' HD12 ' A' ' 49' ' ' LEU . 11.3 ttp -57.79 -37.93 74.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.123 0.487 . . . . 0.0 109.825 178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.698 HD21 ' CE1' ' A' ' 22' ' ' PHE . 9.4 mp -64.94 -36.15 83.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.205 179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 2.1 ttm180 -90.75 12.81 18.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.947 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.031 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -84.67 -70.15 0.6 Allowed 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.89 0.376 . . . . 0.0 111.869 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.685 HD11 HG23 ' A' ' 45' ' ' VAL . 7.3 mt -79.75 -8.2 59.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.863 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.731 HD12 ' HG2' ' A' ' 21' ' ' GLU . 0.6 OUTLIER -52.58 101.18 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.763 0.316 . . . . 0.0 110.964 179.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 110.2 159.99 17.67 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.489 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.08 154.92 28.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.871 0.367 . . . . 0.0 110.828 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -135.73 128.71 31.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.79 162.87 24.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.765 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.863 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.828 0.347 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.99 150.43 27.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -174.33 -60.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.715 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 4' ' ' THR . 15.0 t -176.21 119.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -82.86 2.16 35.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.59 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.598 ' NE2' HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -52.87 -24.75 9.75 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.687 0.28 . . . . 0.0 111.357 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -80.07 -9.2 59.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.247 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.41 -50.92 5.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.841 0.353 . . . . 0.0 111.318 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -54.89 -42.89 72.69 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.002 0.429 . . . . 0.0 110.258 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.987 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -43.88 -57.48 3.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.439 179.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.666 ' HA ' HD22 ' A' ' 79' ' ' LEU . 1.0 OUTLIER -53.88 -25.7 21.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.794 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.04 -19.69 19.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.269 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CE1' ' HD2' ' A' ' 87' ' ' LYS . 0.5 OUTLIER -69.44 -12.96 62.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.288 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.815 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -126.73 167.6 15.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 111.063 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -84.48 160.63 20.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.684 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -49.83 -27.96 5.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.19 0.519 . . . . 0.0 110.211 179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -61.98 -53.71 51.86 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.597 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.815 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -64.47 -22.1 66.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.078 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.5 HD11 ' O ' ' A' ' 11' ' ' ARG . 60.9 mt -78.36 -64.1 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.908 0.385 . . . . 0.0 110.709 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.21 -27.42 3.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.184 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.442 ' OE1' HD23 ' B' ' 126' ' ' LEU . 6.4 mm-40 -88.15 -32.42 18.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.389 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.746 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -60.59 -34.79 74.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.266 179.373 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 9.0 tmtt? -78.93 -11.52 60.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.115 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.422 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -42.44 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.8 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -70.62 -6.6 37.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.286 -179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.413 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 39.6 t80 -43.66 -30.42 0.62 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.752 0.311 . . . . 0.0 111.712 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.66 -60.86 2.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.04 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.508 ' HG3' HD13 ' B' ' 125' ' ' LEU . 4.4 mmm -57.68 -28.35 63.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.143 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.762 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -58.17 -74.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -55.01 119.06 4.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.225 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -90.54 -49.95 6.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.873 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -83.52 -25.31 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.779 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.0 32.17 27.02 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.591 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 176.68 39.49 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -146.47 20.21 1.69 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.607 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 54.67 -176.32 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.845 0.355 . . . . 0.0 111.114 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.657 HD13 ' CD1' ' A' ' 29' ' ' PHE . 85.9 mt -98.41 116.13 40.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.26 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.2 t -97.61 -163.39 1.04 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.682 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.688 HG22 HD12 ' A' ' 62' ' ' ILE . 23.6 p -67.24 -38.74 85.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.242 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.12 -37.97 63.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.27 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.96 -22.46 60.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.352 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.799 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -80.56 -60.79 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.746 0.308 . . . . 0.0 111.032 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.17 -29.22 4.74 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.602 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.686 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -58.07 -78.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.023 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.8 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.4 p -61.81 -27.11 41.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.916 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.579 ' HG3' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -75.93 -32.4 59.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.566 -179.196 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.8 mtt180 -85.76 -28.43 24.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.649 0.261 . . . . 0.0 111.353 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.512 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -91.69 10.2 29.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.599 -0.273 . . . . 0.0 111.506 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.021 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.6 mt -120.1 -40.54 2.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.769 0.318 . . . . 0.0 110.97 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -35.52 0.37 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.66 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.95 158.42 32.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.837 0.351 . . . . 0.0 110.899 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 1.4 t-20 -144.23 50.57 1.28 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.25 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HG2' HD21 ' A' ' 58' ' ' LEU . 59.9 Cg_endo -72.25 113.57 3.74 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.472 2.114 . . . . 0.0 112.272 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -57.02 -170.03 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.963 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.439 ' H ' HG22 ' A' ' 54' ' ' THR . 13.1 tptt -65.8 -54.67 23.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.12 -34.19 68.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.013 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -60.33 -59.71 4.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 42' ' ' LEU . 6.2 mt -67.21 -31.23 71.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -71.03 -24.98 62.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.98 -33.95 57.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.928 0.394 . . . . 0.0 110.739 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.523 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.8 mp -76.64 -60.57 2.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.414 179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.688 HD12 HG22 ' A' ' 39' ' ' THR . 48.2 mt -43.96 -49.73 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.129 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.79 -36.07 62.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.342 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -33.93 30.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.745 179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.716 HG22 ' HA ' ' A' ' 81' ' ' MET . 86.3 t -65.29 -58.43 7.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.311 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.68 114.85 4.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.232 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -89.16 -23.04 22.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.901 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -102.45 18.98 19.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.28 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 50.69 56.86 11.96 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.574 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.54 -18.93 12.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.562 0.22 . . . . 0.0 111.321 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 70.16 8.67 62.29 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.308 -179.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 p -121.92 146.55 47.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.915 0.388 . . . . 0.0 110.752 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.489 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 33.5 mt -103.82 118.77 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.294 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.08 -168.72 0.31 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -61.48 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -61.63 -24.57 66.8 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.9 mt-10 -53.65 -25.12 16.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.171 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.485 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 19.0 t80 -62.91 -16.01 57.43 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 120.758 0.313 . . . . 0.0 110.938 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.938 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.3 mp -95.25 -38.91 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.965 0.412 . . . . 0.0 109.919 178.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.987 HG22 ' HB2' ' A' ' 10' ' ' ALA . 25.1 t -67.75 -37.37 78.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.836 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.716 ' HA ' HG22 ' A' ' 65' ' ' VAL . 2.0 ptm -45.48 -38.64 6.41 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.666 0.745 . . . . 0.0 110.512 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.63 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 1.1 mmm -92.82 -27.97 16.83 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.36 -179.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.938 HG23 ' O ' ' A' ' 79' ' ' LEU . 99.8 t -65.8 -42.07 91.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.874 0.368 . . . . 0.0 110.609 179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.559 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.1 OUTLIER -62.56 -27.18 68.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.211 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.85 12.6 22.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.417 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.558 ' CE ' HD21 ' A' ' 14' ' ' LEU . 2.5 mtt -103.91 -46.95 4.34 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.758 0.314 . . . . 0.0 110.7 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' HD2' ' CE1' ' A' ' 13' ' ' PHE . 2.7 mtpp -57.82 -32.91 68.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -63.14 -32.72 74.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -59.59 -30.9 68.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.93 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.127 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.696 0.284 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 4.2 ttp -93.4 -66.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.747 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 11.2 p -82.33 59.39 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.829 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.682 ' O ' HD13 ' B' ' 122' ' ' LEU . . . -77.52 -1.97 33.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.964 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.413 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 22.5 t0 -45.06 -29.4 0.87 Allowed 'General case' 0 C--O 1.23 0.071 0 CA-C-O 120.753 0.311 . . . . 0.0 110.939 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -57.54 -67.24 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.763 179.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.688 ' CE ' HD12 ' B' ' 122' ' ' LEU . 4.3 ttp -55.86 -34.61 65.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.183 0.516 . . . . 0.0 109.835 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.746 HD21 ' CE1' ' A' ' 22' ' ' PHE . 10.9 mp -64.56 -41.12 96.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.066 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.56 12.53 18.5 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.123 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.021 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.29 -73.94 0.27 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.934 0.397 . . . . 0.0 111.411 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.574 HD11 HG23 ' A' ' 45' ' ' VAL . 7.1 mt -77.12 -19.99 56.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.397 -179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.442 HD23 ' OE1' ' A' ' 21' ' ' GLU . 18.2 mt 60.4 157.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.875 0.369 . . . . 0.0 110.927 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -117.11 132.25 9.92 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.78 30.8 6.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -144.07 128.72 18.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -153.43 172.94 16.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.76 0.314 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -96.42 172.96 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -134.82 -46.58 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.895 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.54 ' O ' HG23 ' A' ' 4' ' ' THR . 8.8 t -143.84 108.07 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -102.43 2.07 36.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.499 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.682 ' CD ' HG21 ' A' ' 80' ' ' VAL . 4.0 pt20 -53.71 -24.02 13.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.762 0.315 . . . . 0.0 111.131 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.486 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 2.2 mt-30 -68.47 -21.89 64.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.95 -48.66 7.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.759 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 13' ' ' PHE . 4.8 mt-10 -52.58 -35.92 54.94 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.231 0.539 . . . . 0.0 109.751 179.217 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.558 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -45.54 -60.94 1.9 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.339 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.542 ' HG3' HD22 ' A' ' 79' ' ' LEU . 4.4 ttp180 -51.65 -27.38 11.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.89 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -91.68 -21.18 20.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.195 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.402 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.1 OUTLIER -76.23 -24.62 54.61 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.019 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD22 ' HE1' ' A' ' 86' ' ' MET . 14.1 mt -109.02 158.94 17.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.986 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.28 160.31 26.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.601 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -49.83 -27.79 5.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.183 0.516 . . . . 0.0 110.163 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.36 -56.63 16.49 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.744 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -21.19 47.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.163 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' O ' ' N ' ' A' ' 22' ' ' PHE . 36.4 mt -80.66 -63.32 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.91 0.386 . . . . 0.0 110.724 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -46.37 -28.29 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.001 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.402 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 21.0 mt-10 -87.26 -33.92 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.985 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.456 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -60.07 -35.6 75.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.891 179.113 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.502 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -70.56 -21.43 62.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.893 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -40.03 -77.03 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.464 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.869 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -77.08 -1.03 26.99 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.342 0.497 . . . . 0.0 112.342 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 8.2 t80 -52.62 -25.45 10.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.696 0.284 . . . . 0.0 111.48 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -83.91 -63.58 1.32 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.974 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.412 ' SD ' ' HE1' ' A' ' 48' ' ' MET . 11.6 mtt -56.83 -25.59 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.519 ' CE1' HG11 ' A' ' 45' ' ' VAL . 1.5 m-85 -55.0 -66.03 0.48 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -59.59 120.31 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.072 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.27 -50.71 5.97 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -88.14 -27.88 21.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.825 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.96 35.97 11.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.544 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 173.36 39.45 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.535 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -153.17 23.98 0.78 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.619 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 57.17 -177.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 111.011 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.455 ' CD1' ' CG ' ' A' ' 29' ' ' PHE . 78.6 mt -96.92 117.85 42.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.3 p -91.23 -164.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.694 179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.8 OUTLIER -66.27 -55.87 13.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.041 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.0 mtmm -61.26 -36.06 78.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.417 ' HB3' HG23 ' A' ' 37' ' ' ILE . 10.8 mt-10 -56.59 -24.14 45.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.419 ' CD2' HG21 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -82.71 -57.03 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.303 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.24 -27.1 7.14 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.684 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.653 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -55.52 -78.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 0.0 111.065 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.869 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.3 p -62.77 -26.08 39.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.781 -179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.0 mmt -75.07 -30.86 61.08 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.346 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.8 -28.83 21.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.548 -0.297 . . . . 0.0 111.639 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.7 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -91.23 10.05 28.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.564 -179.732 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.999 HD22 ' HB1' ' B' ' 124' ' ' ALA . 18.4 mt -119.45 -39.93 2.84 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.846 0.355 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.5 -34.67 0.38 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.544 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.92 159.79 29.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.35 . . . . 0.0 110.799 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.451 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 5.4 t-20 -144.23 50.32 1.23 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.736 ' CG ' HD21 ' A' ' 58' ' ' LEU . 72.1 Cg_endo -73.69 107.89 2.51 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.429 2.086 . . . . 0.0 112.11 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -57.66 -179.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.998 -179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 54' ' ' THR . 8.7 tptt -56.19 -46.89 79.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -31.3 70.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.676 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -60.35 -55.19 36.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.724 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.736 HD21 ' CG ' ' A' ' 53' ' ' PRO . 6.2 mt -73.38 -31.58 63.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.639 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -64.06 -27.02 68.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.23 -29.9 57.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.78 179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.533 HD11 ' HB2' ' B' ' 115' ' ' ARG . 2.6 mp -82.96 -60.78 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.374 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 39' ' ' THR . 41.7 mt -43.34 -43.63 1.47 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.117 179.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 8.1 t -56.67 -44.98 81.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.225 179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -73.77 -32.18 63.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.994 179.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.589 HG22 ' CB ' ' A' ' 81' ' ' MET . 81.0 t -65.87 -46.55 88.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.473 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.77 99.79 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.078 -179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -27.54 62.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.731 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -82.6 -29.99 29.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.007 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 94.96 52.48 1.77 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.315 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.67 -26.47 9.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 111.153 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 85.25 -5.48 82.97 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.595 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 26.9 p -105.25 148.84 26.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.897 0.379 . . . . 0.0 110.854 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 52.4 mt -105.33 112.31 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.37 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.87 -169.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -58.31 -80.17 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.02 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.627 ' HA ' HD12 ' A' ' 79' ' ' LEU . 1.8 mt-10 -68.0 -19.01 64.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.051 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.415 ' HG3' ' HG2' ' A' ' 7' ' ' GLN . 2.2 mt-10 -52.62 -27.01 15.2 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.008 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.512 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 25.1 t80 -72.35 -11.01 60.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.063 179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 76' ' ' GLU . 0.9 OUTLIER -95.19 -35.67 11.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.808 0.337 . . . . 0.0 110.693 179.562 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 ' CD ' ' A' ' 6' ' ' GLN . 4.2 p -74.26 -32.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.94 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.589 ' CB ' HG22 ' A' ' 65' ' ' VAL . 2.9 ptm -50.93 -40.89 58.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.666 0.746 . . . . 0.0 110.325 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.896 ' HE3' ' HB3' ' B' ' 118' ' ' ALA . 4.7 mtt -74.32 -37.7 63.5 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.508 -1.224 . . . . 0.0 110.882 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 79' ' ' LEU . 41.7 t -63.37 -37.86 80.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.934 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -19.66 64.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.257 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 81' ' ' MET . 1.9 mm-40 -110.03 -25.39 10.26 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.781 0.324 . . . . 0.0 110.735 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.515 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 6.2 mtt -70.76 -34.11 71.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.997 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.577 ' HD3' HG12 ' A' ' 83' ' ' VAL . 0.6 OUTLIER -68.78 -27.24 65.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.933 179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 64.62 152.37 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.31 154.36 29.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.91 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.111 0 CA-C-O 118.203 -0.903 . . . . 0.0 111.049 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . 0.533 ' HB2' HD11 ' A' ' 61' ' ' ILE . 47.3 ttp180 . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 59.08 161.16 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 26.8 p 48.69 30.59 2.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.022 0.439 . . . . 0.0 110.61 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.896 ' HB3' ' HE3' ' A' ' 82' ' ' MET . . . -77.87 0.64 23.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.294 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -44.78 -28.46 0.64 Allowed 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.685 0.279 . . . . 0.0 111.29 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.53 -65.11 0.62 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.922 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.677 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.4 ttp -56.4 -35.25 67.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.102 0.477 . . . . 0.0 110.059 179.296 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.542 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.0 mp -66.3 -36.87 84.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.177 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 5.2 ttt180 -90.26 11.87 19.87 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.999 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -79.72 -73.59 0.34 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.889 0.376 . . . . 0.0 111.45 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.7 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.5 mt -74.98 -20.33 59.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.379 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 13.0 mt 61.81 150.58 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.92 0.39 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -123.01 50.22 0.85 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.483 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 34.5 m -96.14 84.94 3.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.802 0.334 . . . . 0.0 110.929 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -64.69 80.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.85 169.25 5.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.863 -179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.852 0.358 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -115.35 135.23 54.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -162.21 -44.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.0 t -166.14 121.82 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.1 p30 -77.8 -1.85 33.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.601 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -52.36 -28.6 20.1 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.83 0.348 . . . . 0.0 110.837 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.479 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -73.91 -12.93 60.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.12 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.15 -49.99 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 111.163 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -54.33 -41.73 69.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.192 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.778 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -43.32 -61.19 1.42 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.528 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.491 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.3 ttp180 -52.11 -26.17 10.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.75 -20.75 20.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.239 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.459 ' CZ ' ' HG3' ' A' ' 87' ' ' LYS . 67.3 t80 -67.34 -32.62 73.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD21 ' CE ' ' A' ' 86' ' ' MET . 4.6 mt -107.0 164.95 11.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.24 160.39 24.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.587 179.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.71 -27.77 5.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.143 0.497 . . . . 0.0 110.041 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 4.8 mm-40 -63.34 -63.37 1.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.644 179.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -53.28 -23.74 9.77 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.16 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.491 HD11 ' O ' ' A' ' 11' ' ' ARG . 44.7 mt -75.33 -60.21 2.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.081 0.467 . . . . 0.0 110.671 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.15 -24.51 10.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.46 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 17' ' ' GLU . 0.5 OUTLIER -86.58 -34.11 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.194 179.425 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.51 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.36 -34.5 76.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.227 179.537 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -71.2 -17.87 62.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.34 179.151 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.505 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -48.05 -70.93 0.08 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.82 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.584 ' HB3' ' CE2' ' A' ' 29' ' ' PHE . . . -66.72 -10.27 45.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.148 -179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.409 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 2.7 t80 -49.65 -28.64 6.12 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-O 120.783 0.325 . . . . 0.0 111.081 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -76.72 -60.75 2.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.826 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.504 ' HG3' HD13 ' B' ' 125' ' ' LEU . 3.6 mmt -61.73 -29.06 69.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.584 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 2.6 m-85 -55.34 -63.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -68.37 119.7 13.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.959 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -89.29 -50.75 5.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.957 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -88.45 -27.81 21.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.98 92.25 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 159.09 -27.18 0.38 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.457 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -105.11 -110.24 3.49 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.476 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.437 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 61.4 m-20 -149.42 -175.85 5.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.523 HD13 ' CG ' ' A' ' 29' ' ' PHE . 61.3 mt -91.04 117.64 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.228 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -96.05 -164.39 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.816 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.608 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -68.44 -45.76 71.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.128 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.4 tttp -67.71 -29.37 68.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -70.06 -25.85 63.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.245 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.604 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -82.94 -56.8 3.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.327 . . . . 0.0 111.179 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -52.99 -26.22 26.43 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.638 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.4 m -58.01 -79.43 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.928 0.394 . . . . 0.0 110.977 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.638 ' N ' HG22 ' A' ' 44' ' ' THR . 2.7 p -55.43 -26.42 19.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.8 mmt -79.62 -29.65 41.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.335 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 84.1 mtt180 -87.03 -26.27 23.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.611 0.243 . . . . 0.0 111.542 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.599 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -89.98 -11.97 40.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.478 -179.83 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.641 HD22 ' HB1' ' B' ' 124' ' ' ALA . 30.6 mt -94.73 -50.13 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.729 0.3 . . . . 0.0 111.184 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.31 -30.38 0.17 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.581 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -67.73 162.19 24.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.845 0.355 . . . . 0.0 110.649 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -144.26 55.05 3.1 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.284 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.753 ' CG ' HD21 ' A' ' 58' ' ' LEU . 50.8 Cg_endo -67.83 107.94 1.58 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.471 2.114 . . . . 0.0 111.846 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 44.0 p -52.48 171.58 0.05 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.286 -179.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.94 -56.69 16.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.81 -31.52 68.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.543 179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.7 tt0 -58.63 -63.84 1.14 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.914 179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.753 HD21 ' CG ' ' A' ' 53' ' ' PRO . 5.7 mt -60.35 -30.48 69.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.768 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.37 -26.57 61.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.582 179.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.1 -29.87 58.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.8 mp -80.49 -60.74 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.298 179.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.608 HD12 ' CG2' ' A' ' 39' ' ' THR . 40.5 mt -44.71 -47.12 2.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.91 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 4.1 t -53.62 -37.03 62.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.274 179.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -83.48 -33.31 25.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.909 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.624 HG22 ' HA ' ' A' ' 81' ' ' MET . 90.2 t -64.18 -37.35 79.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.244 179.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -91.78 112.71 24.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -98.6 26.37 5.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.676 179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -148.11 21.4 1.1 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.095 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.96 51.49 45.48 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.657 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.54 -24.91 9.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.716 0.293 . . . . 0.0 111.353 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.448 ' HA2' HG22 ' A' ' 62' ' ' ILE . . . 63.79 15.96 58.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.416 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.437 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 69.4 p -125.16 140.04 53.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.848 0.356 . . . . 0.0 110.827 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.492 HG12 HG11 ' A' ' 65' ' ' VAL . 25.0 mt -95.37 115.34 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.338 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -68.7 -166.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' A' ' 78' ' ' PHE . 73.3 m-85 -57.51 -84.74 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.525 ' O ' HD12 ' A' ' 79' ' ' LEU . 4.3 pm0 -67.11 -14.24 62.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.621 0.248 . . . . 0.0 111.202 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.24 -21.13 31.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 0.1 OUTLIER -68.76 -8.8 46.46 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.224 179.691 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.819 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.1 mt -95.76 -46.81 6.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.035 0.445 . . . . 0.0 109.834 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.778 HG22 ' HB2' ' A' ' 10' ' ' ALA . 23.7 t -58.49 -35.77 56.07 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.245 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.8 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.624 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.4 ptm -48.93 -40.19 29.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.455 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.733 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.4 OUTLIER -92.81 -28.58 16.47 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.003 179.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 79' ' ' LEU . 99.2 t -60.15 -40.35 83.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 120.889 0.376 . . . . 0.0 110.216 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.443 ' HG3' HG12 ' A' ' 80' ' ' VAL . 1.8 mtt-85 -69.73 -22.51 63.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -105.13 12.92 31.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.721 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.427 ' CE ' HD21 ' A' ' 14' ' ' LEU . 4.8 mtt -113.56 -43.93 3.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.778 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.735 ' HD2' HG12 ' A' ' 83' ' ' VAL . 1.0 OUTLIER -55.73 -66.96 0.33 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.972 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -177.15 172.75 1.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -106.72 30.62 5.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.247 -0.883 . . . . 0.0 111.094 179.911 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 CA-C-O 120.755 0.312 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 22.1 ttp -94.19 162.15 13.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.857 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.9 p 57.15 35.87 26.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.733 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -79.05 -0.55 31.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.156 179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -43.05 -29.2 0.33 Allowed 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.467 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.46 -69.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.045 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.491 ' HE3' ' HB3' ' B' ' 121' ' ' MET . 1.8 tmm? -53.4 -39.01 63.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.145 0.498 . . . . 0.0 109.895 179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.529 HD13 ' O ' ' B' ' 118' ' ' ALA . 9.0 mp -61.15 -37.16 81.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.932 179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -90.75 11.19 23.1 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.818 178.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.641 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -84.89 -75.74 0.34 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.963 0.411 . . . . 0.0 111.843 -179.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.599 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.9 mt -73.08 -7.27 50.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.937 -179.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.505 ' N ' ' HB1' ' A' ' 24' ' ' ALA . 1.1 tt -51.21 118.83 3.5 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.866 0.365 . . . . 0.0 111.035 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . 0.481 ' N ' HD23 ' B' ' 126' ' ' LEU . . . 79.29 96.47 0.29 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.495 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 2.7 m -120.1 111.02 17.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.965 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -172.74 -41.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -111.83 179.67 3.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 3.1 pttt . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.874 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.854 0.359 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -110.07 169.21 8.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -146.03 -48.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.479 HG21 ' OE1' ' A' ' 67' ' ' GLU . 5.7 t -179.38 117.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.775 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -112.16 2.31 16.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.622 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -46.16 -33.59 3.68 Favored 'General case' 0 N--CA 1.462 0.151 0 CA-C-O 120.679 0.276 . . . . 0.0 111.471 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.465 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.1 OUTLIER -56.08 -32.02 63.74 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 121.306 0.575 . . . . 0.0 110.378 179.581 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.45 -51.05 7.22 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.924 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 13' ' ' PHE . 1.2 mm-40 -59.25 -40.53 86.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.265 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.913 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -44.22 -56.71 3.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.441 179.505 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.464 ' NH1' HD13 ' A' ' 19' ' ' ILE . 2.5 mtp85 -53.73 -26.04 21.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.826 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.91 -21.03 18.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.134 179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' CD2' HG11 ' A' ' 83' ' ' VAL . 2.8 m-85 -68.06 -28.33 67.28 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.819 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -111.82 169.64 8.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.55 161.48 20.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.601 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -50.44 -27.29 6.2 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.083 0.468 . . . . 0.0 110.228 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -60.25 -60.22 4.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.805 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.12 -24.13 6.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.219 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' NH1' ' A' ' 11' ' ' ARG . 78.9 mt -78.45 -60.83 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.04 0.447 . . . . 0.0 110.634 179.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -53.69 -24.21 13.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.356 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.519 ' HA ' HD12 ' B' ' 126' ' ' LEU . 1.8 mt-10 -89.0 -33.26 17.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.597 ' CE1' HD21 ' B' ' 122' ' ' LEU . 0.2 OUTLIER -61.26 -33.08 72.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.652 178.823 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 13.8 tptt -70.4 -16.35 62.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.41 179.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.47 -68.66 0.15 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.666 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.712 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -79.3 -0.67 33.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.163 -179.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -45.15 -57.15 4.11 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.738 0.304 . . . . 0.0 111.655 -179.838 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -67.83 -51.74 44.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.546 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 0.9 OUTLIER -57.25 -27.22 61.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.175 -179.731 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.603 ' CE1' HD22 ' A' ' 42' ' ' LEU . 3.1 m-85 -60.26 -75.26 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.893 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -58.86 119.0 6.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.998 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.25 -54.83 6.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.984 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -81.26 -30.7 34.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.8 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.74 102.57 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 153.87 -27.12 0.73 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.97 -110.05 3.26 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.517 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -144.1 -179.13 6.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.887 0.375 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.714 HG23 ' HB3' ' A' ' 41' ' ' GLU . 54.8 mt -87.49 110.74 21.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -163.53 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.742 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.621 ' CG2' HD12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -75.32 -35.93 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.958 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -80.01 -34.02 38.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.108 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.714 ' HB3' HG23 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -57.27 -38.21 73.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.008 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD22 ' CE1' ' A' ' 29' ' ' PHE . 0.1 OUTLIER -69.09 -57.83 4.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.16 -179.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -51.11 -27.62 15.38 Favored Glycine 0 CA--C 1.518 0.25 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.745 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.648 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.79 -76.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.003 0.43 . . . . 0.0 110.874 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.712 HG21 ' HB1' ' A' ' 25' ' ' ALA . 7.2 p -61.09 -25.8 37.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.524 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mmt -75.85 -32.88 59.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.176 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.4 mtp-105 -85.03 -26.81 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.699 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.607 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -94.1 10.06 35.23 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.722 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.969 HD22 ' HB1' ' B' ' 124' ' ' ALA . 15.1 mt -120.47 -42.41 2.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.667 0.27 . . . . 0.0 111.178 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.49 -40.54 0.19 Allowed Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.665 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.76 162.19 24.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.755 0.312 . . . . 0.0 110.601 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.463 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.9 OUTLIER -144.26 48.74 0.92 Allowed Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.453 -179.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.835 ' HG2' HD21 ' A' ' 58' ' ' LEU . 72.5 Cg_endo -75.86 107.79 2.54 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.236 1.958 . . . . 0.0 112.022 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -59.9 -175.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.462 ' H ' HG22 ' A' ' 54' ' ' THR . 0.0 OUTLIER -59.34 -34.06 71.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 63.1 m -78.34 -38.09 42.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -57.73 -49.42 76.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.835 HD21 ' HG2' ' A' ' 53' ' ' PRO . 1.4 mt -71.94 -24.08 61.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.97 -29.17 68.15 Favored 'General case' 0 CA--C 1.52 -0.208 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.741 179.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.54 -25.01 59.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.754 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.605 HD11 ' HG2' ' B' ' 115' ' ' ARG . 3.5 mp -88.35 -56.21 5.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.575 179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.621 HD12 ' CG2' ' A' ' 39' ' ' THR . 31.0 mt -49.4 -41.62 15.46 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.12 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.951 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 t -51.45 -29.61 16.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.575 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -96.69 -33.48 11.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.185 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.62 HG22 ' CB ' ' A' ' 81' ' ' MET . 60.4 t -65.26 -47.19 88.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.667 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.554 ' OD2' HG22 ' A' ' 62' ' ' ILE . 7.1 m-20 -49.44 -45.91 47.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.481 -0.781 . . . . 0.0 112.04 -179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' OE1' HG21 ' A' ' 4' ' ' THR . 8.4 pt-20 46.27 28.9 0.75 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.301 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -165.64 -46.89 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.029 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.98 57.23 0.42 Allowed Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.445 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.32 -23.52 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.692 0.282 . . . . 0.0 111.397 -179.737 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 88.68 -12.81 64.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.431 -179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.1 p -115.61 174.78 5.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 47.7 mt -118.59 116.38 51.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.528 -179.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' O ' ' CE1' ' A' ' 78' ' ' PHE . 0.5 OUTLIER -60.14 -169.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.268 179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 78' ' ' PHE . 0.4 OUTLIER -68.77 -82.96 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.99 -179.816 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 7' ' ' GLN . 3.5 mt-10 -53.31 -24.04 10.78 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.763 0.316 . . . . 0.0 111.042 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.542 ' O ' ' HG2' ' A' ' 81' ' ' MET . 6.6 mt-10 -54.37 -31.16 54.06 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.195 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.476 ' CD2' ' O ' ' A' ' 75' ' ' PHE . 16.4 m-85 -56.52 -18.67 12.37 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.722 0.296 . . . . 0.0 111.094 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.2 mp -95.13 -42.27 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 110.141 179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.913 HG22 ' HB2' ' A' ' 10' ' ' ALA . 62.2 t -65.47 -35.03 74.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.62 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.8 ptm -47.75 -39.58 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 110.405 179.626 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.684 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 1.7 mmm -93.11 -24.36 18.3 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.675 -1.148 . . . . 0.0 111.613 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 79' ' ' LEU . 68.0 t -68.86 -28.85 41.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.918 0.39 . . . . 0.0 110.512 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.44 ' HG3' HG12 ' A' ' 80' ' ' VAL . 0.4 OUTLIER -78.45 -16.84 57.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.136 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -107.19 -31.18 8.35 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.025 0.441 . . . . 0.0 110.441 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.41 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 6.8 mtt -67.52 -62.65 1.32 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.759 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -27.93 58.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 60.24 163.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.94 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.61 -32.64 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.171 -0.918 . . . . 0.0 111.137 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . 0.605 ' HG2' HD11 ' A' ' 61' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.831 0.348 . . . . 0.0 111.17 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 2.2 ttm -87.71 -66.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.02 59.19 4.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.684 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -81.67 -1.07 45.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.942 179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -45.93 -28.69 1.19 Allowed 'General case' 0 N--CA 1.46 0.043 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.001 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.1 -58.65 5.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.702 ' HG3' HD12 ' A' ' 49' ' ' LEU . 4.1 ttp -60.79 -33.18 72.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.597 HD21 ' CE1' ' A' ' 22' ' ' PHE . 8.5 mp -68.99 -36.45 77.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.38 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -90.56 12.57 18.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.996 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.969 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -83.42 -75.18 0.33 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.858 0.361 . . . . 0.0 111.63 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.607 HD11 HG23 ' A' ' 45' ' ' VAL . 6.2 mt -72.46 -13.2 61.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.621 -179.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -53.92 -66.34 0.41 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.774 0.321 . . . . 0.0 110.93 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 87.03 108.39 0.86 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.657 -0.783 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 34.6 t 61.15 -177.4 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -106.06 -57.16 2.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.956 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -131.36 -51.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 6.9 tttt . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.832 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.805 0.336 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.86 -169.72 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -176.61 -62.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.687 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.2 t -143.93 122.05 12.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.775 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -79.7 0.03 32.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.637 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -52.14 -35.17 47.66 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.828 0.347 . . . . 0.0 110.858 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 3.3 mt-30 -71.43 -13.24 61.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.36 -51.65 5.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.297 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -56.99 -43.98 82.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.54 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.843 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.68 -59.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.654 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.603 ' HG3' HD13 ' A' ' 79' ' ' LEU . 4.1 mtp180 -51.92 -26.81 11.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.767 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.96 -22.68 19.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.118 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -67.02 -24.72 66.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.938 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD13 ' HG2' ' A' ' 18' ' ' MET . 5.0 mt -112.63 173.39 6.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 111.004 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 163.28 14.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.646 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -50.02 -27.83 6.07 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.188 0.518 . . . . 0.0 110.091 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -60.73 -56.99 14.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.65 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.5 ' HG2' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.58 -20.49 56.15 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.189 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.3 mt -83.27 -64.46 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.898 0.38 . . . . 0.0 110.716 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.36 -25.1 1.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 18.8 mt-10 -89.8 -30.96 17.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.233 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -61.03 -33.17 72.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.89 179.14 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.468 ' N ' ' CD1' ' A' ' 22' ' ' PHE . 15.7 tptm -77.54 -12.32 59.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.785 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.43 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -44.63 -78.74 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.694 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -70.31 -7.32 41.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 112.228 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.445 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 31.4 t80 -45.44 -28.9 0.97 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.704 0.287 . . . . 0.0 111.59 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -82.82 -60.0 2.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.9 mtt -59.0 -29.04 66.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.7 ' HE1' HD22 ' A' ' 42' ' ' LEU . 0.7 OUTLIER -55.78 -71.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.06 119.08 5.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.156 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.95 -47.01 6.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.892 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -74.01 -19.43 60.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.891 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 134.3 -79.17 0.34 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.548 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -137.7 51.59 0.78 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.525 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.93 37.23 3.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 58.95 -177.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 0.0 110.953 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.496 HD13 ' CD1' ' A' ' 29' ' ' PHE . 82.1 mt -110.15 128.86 66.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.31 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.3 t -101.57 -163.03 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.485 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.7 HG22 HD12 ' A' ' 62' ' ' ILE . 18.1 p -73.37 -38.75 65.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.96 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -72.71 -30.74 64.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.085 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' CB ' HG23 ' A' ' 37' ' ' ILE . 1.8 mt-10 -63.8 -27.03 68.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.7 HD22 ' HE1' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -77.43 -48.05 18.17 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.964 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' ARG . . . -56.73 -16.27 16.16 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.827 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.643 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -74.3 -77.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.047 0.451 . . . . 0.0 111.36 -179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.694 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -60.04 -44.03 93.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.703 -0.681 . . . . 0.0 112.452 -178.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.437 ' N ' HG13 ' A' ' 45' ' ' VAL . 1.0 OUTLIER -61.14 -26.89 67.99 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.904 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 69.6 mtt180 -80.11 -42.84 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.789 0.328 . . . . 0.0 111.504 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.613 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -82.83 5.66 20.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.288 -0.415 . . . . 0.0 112.04 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.998 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.9 mt -112.57 -25.89 8.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.666 0.27 . . . . 0.0 111.308 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 144.57 -38.24 1.31 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.476 -0.868 . . . . 0.0 112.753 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.94 158.34 32.96 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.854 0.359 . . . . 0.0 110.807 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.42 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 16.0 m120 -144.32 52.94 2.0 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.781 ' CG ' HD21 ' A' ' 58' ' ' LEU . 58.6 Cg_endo -71.2 109.42 2.58 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.564 2.176 . . . . 0.0 112.123 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.3 p -54.78 179.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.0 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.99 -57.12 13.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 16.3 m -60.33 -29.3 68.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.729 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.47 -61.18 2.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.781 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.4 mt -67.53 -30.16 69.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.793 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -68.59 -26.59 65.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.989 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.31 -30.09 53.95 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.735 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.532 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -81.94 -59.52 2.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.346 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.7 HD12 HG22 ' A' ' 39' ' ' THR . 50.6 mt -44.28 -48.98 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.155 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -48.94 -29.25 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.706 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -92.31 -33.21 14.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.159 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 61' ' ' ILE . 17.4 t -64.34 -46.78 92.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.74 179.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -58.23 -50.41 73.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.244 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 57.97 27.78 15.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 0.0 110.778 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -155.6 -45.2 0.08 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.898 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.72 53.9 0.44 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.3 p -117.42 -26.45 6.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.698 0.285 . . . . 0.0 111.38 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.25 1.57 75.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.216 -179.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 56.9 p -115.95 139.05 50.63 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.793 0.33 . . . . 0.0 110.778 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.482 HG23 ' HB3' ' A' ' 77' ' ' GLU . 50.7 mt -99.51 123.16 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.04 -167.05 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.77 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -66.72 -68.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.011 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.454 ' HA ' HD12 ' A' ' 79' ' ' LEU . 5.3 mt-10 -71.67 -20.62 61.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.303 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.482 ' HB3' HG23 ' A' ' 73' ' ' ILE . 11.1 mt-10 -54.61 -23.81 18.65 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.346 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 13.8 t80 -71.4 -10.08 59.19 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.716 0.293 . . . . 0.0 110.963 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.603 HD13 ' HG3' ' A' ' 11' ' ' ARG . 1.3 mp -95.71 -44.52 7.41 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.843 HG22 ' HB2' ' A' ' 10' ' ' ALA . 24.1 t -60.75 -32.77 52.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.911 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.51 ' HB3' ' CG2' ' A' ' 65' ' ' VAL . 1.4 ptm -52.63 -40.16 62.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.325 179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.737 ' HE1' HD11 ' B' ' 122' ' ' LEU . 5.4 ttm -84.8 -31.02 24.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.565 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 79' ' ' LEU . 88.5 t -59.17 -32.59 48.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.93 0.395 . . . . 0.0 110.497 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -80.07 -11.09 59.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.011 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -106.92 -28.25 10.2 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.001 0.429 . . . . 0.0 110.198 179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.539 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 10.4 mtt -75.0 -54.07 7.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.719 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.0 82.92 1.89 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -57.13 128.86 39.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -103.51 170.65 7.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.233 -0.889 . . . . 0.0 111.069 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 16.3 ptt85 . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 120.681 0.277 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . 0.406 ' HG2' ' N ' ' B' ' 117' ' ' SER . 26.5 ttt -73.06 162.43 29.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.812 0.339 . . . . 0.0 110.68 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' B' ' 116' ' ' MET . 8.4 p 60.76 35.03 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.702 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.586 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -76.22 -1.07 24.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.261 179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.439 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 28.0 t70 -49.33 -25.53 2.5 Favored 'General case' 0 CA--C 1.528 0.107 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.3 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.48 -62.38 1.69 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.73 0.3 . . . . 0.0 110.645 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.679 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.8 OUTLIER -57.73 -31.83 66.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.041 0.448 . . . . 0.0 109.793 178.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.737 HD11 ' HE1' ' A' ' 82' ' ' MET . 9.0 mp -66.64 -42.4 86.76 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.169 179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -90.41 16.14 9.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.234 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.998 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -82.07 -71.37 0.49 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.979 0.418 . . . . 0.0 111.43 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.613 HD21 ' HE1' ' A' ' 48' ' ' MET . 7.9 mt -78.26 -20.38 51.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.37 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' B' ' 126' ' ' LEU . 10.9 mt 59.6 160.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 110.922 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -92.84 114.89 4.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.556 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.92 173.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.737 0.303 . . . . 0.0 111.081 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -116.97 -54.18 2.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.36 147.86 36.87 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 17.7 tttt . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.882 -179.956 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.308 0 CA-C-O 120.81 0.338 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.6 p -127.3 173.24 9.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 ptp -161.97 -49.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.489 ' O ' HG23 ' A' ' 4' ' ' THR . 9.2 t -175.47 113.7 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.844 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -99.98 2.09 43.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.41 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -53.17 -26.37 16.96 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.582 ' HA ' HG21 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -70.29 -20.74 63.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.963 179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.53 -49.53 6.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.075 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' PHE . 27.6 mt-10 -54.0 -41.8 68.33 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.241 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.837 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -42.13 -59.53 1.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.49 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' HA ' HD22 ' A' ' 79' ' ' LEU . 6.3 mtp180 -53.39 -28.4 29.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.809 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.38 -18.87 22.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.341 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -72.1 -10.0 59.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.36 -179.874 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.516 HD21 ' SD ' ' A' ' 86' ' ' MET . 2.2 mt -132.34 172.18 12.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.35 161.13 21.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.939 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.91 -26.6 10.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.091 0.472 . . . . 0.0 110.343 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.37 -56.24 24.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.638 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.443 ' O ' ' CD2' ' A' ' 22' ' ' PHE . 0.7 OUTLIER -55.25 -25.8 35.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.968 179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.9 mt -74.82 -61.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.008 0.432 . . . . 0.0 110.834 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.23 2.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.26 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' CD ' HD12 ' B' ' 126' ' ' LEU . 1.0 OUTLIER -88.83 -30.51 18.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.82 179.208 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.614 ' CD2' HD23 ' A' ' 79' ' ' LEU . 1.1 m-85 -59.51 -37.03 77.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.935 179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 21.7 tptt -78.27 -9.06 59.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.203 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -46.06 -71.54 0.07 Allowed 'General case' 0 N--CA 1.462 0.158 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.791 ' HB1' HG21 ' A' ' 45' ' ' VAL . . . -84.55 -0.75 54.29 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -178.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 0.3 OUTLIER -40.9 -31.84 0.19 Allowed 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -76.79 -65.49 0.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.265 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -29.17 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.399 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.614 ' CD1' HD13 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -57.85 -60.2 4.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.224 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 32' ' ' ASP . 0.5 OUTLIER -60.79 -18.83 57.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.617 -179.519 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.96 -68.5 0.09 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.275 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 30' ' ' ASP . 23.3 p-10 -98.92 -26.13 14.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.3 33.69 52.94 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.64 -0.791 . . . . 0.0 112.56 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -100.5 -57.18 0.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.495 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.0 -112.35 3.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.408 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -130.38 -174.98 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.614 HD13 ' CD1' ' A' ' 29' ' ' PHE . 54.6 mt -83.18 113.54 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.375 -179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.91 -163.33 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.478 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.565 HG22 HD12 ' A' ' 62' ' ' ILE . 2.7 p -74.11 -24.46 59.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.163 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.56 -35.68 16.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.354 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.64 -27.0 67.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.138 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.731 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -76.32 -60.69 2.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.152 -179.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.42 -30.67 12.59 Favored Glycine 0 CA--C 1.517 0.183 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.682 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.634 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -54.32 -78.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.093 0.473 . . . . 0.0 111.132 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.791 HG21 ' HB1' ' A' ' 25' ' ' ALA . 6.1 p -59.93 -29.84 44.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.62 -0.718 . . . . 0.0 112.014 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.7 mmt -74.56 -36.17 63.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.545 -179.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -84.1 -24.8 30.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.602 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.696 ' CE ' HD11 ' B' ' 125' ' ' LEU . 0.0 OUTLIER -93.61 10.07 34.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.674 -0.239 . . . . 0.0 111.604 -179.676 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.965 HD22 ' HB1' ' B' ' 124' ' ' ALA . 13.9 mt -121.5 -43.03 2.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.851 0.358 . . . . 0.0 111.149 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.23 -36.66 0.23 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -67.96 158.4 32.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.851 0.358 . . . . 0.0 110.757 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -144.09 55.46 3.48 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.758 ' HG2' HD21 ' A' ' 58' ' ' LEU . 48.1 Cg_endo -67.91 107.95 1.6 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.578 2.186 . . . . 0.0 111.945 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.1 p -57.56 -177.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -56.93 14.12 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 6.1 t -59.88 -31.24 69.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.635 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.665 ' O ' HD12 ' A' ' 61' ' ' ILE . 1.3 tm-20 -59.37 -64.87 0.79 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.852 179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.758 HD21 ' HG2' ' A' ' 53' ' ' PRO . 10.1 mt -61.41 -40.89 96.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.665 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.95 -24.16 66.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.68 -30.74 46.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.81 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.665 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.0 mp -82.83 -58.52 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.433 179.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.565 HD12 HG22 ' A' ' 39' ' ' THR . 37.6 mt -44.87 -42.45 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 110.995 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.8 t -58.38 -37.67 75.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.385 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.29 -33.22 26.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.192 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.669 HG22 ' HA ' ' A' ' 81' ' ' MET . 62.7 t -67.77 -45.39 84.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.683 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.9 127.28 32.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.25 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -117.46 26.95 9.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.663 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -149.54 22.06 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 52.16 49.96 47.93 Favored Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.625 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.56 -27.44 8.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.811 0.338 . . . . 0.0 111.226 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.54 9.34 68.9 Favored Glycine 0 CA--C 1.518 0.255 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.501 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 p -122.01 165.28 16.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.832 0.348 . . . . 0.0 110.72 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 45.1 mt -115.96 121.89 68.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.596 -179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -73.28 -167.85 0.46 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.835 179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -62.6 -81.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.482 ' O ' HD12 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -59.87 -23.26 63.29 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.927 179.903 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.8 mt-10 -54.19 -25.65 23.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.517 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 52.5 t80 -64.19 -15.01 59.04 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.934 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.5 mp -95.35 -38.67 10.4 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.837 HG22 ' HB2' ' A' ' 10' ' ' ALA . 21.5 t -65.48 -36.15 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.286 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.538 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.669 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.1 ptm -49.02 -40.18 29.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.152 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.777 ' SD ' ' HE2' ' A' ' 86' ' ' MET . 4.9 ttm -87.3 -34.15 18.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.565 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 79' ' ' LEU . 66.9 t -59.47 -34.1 53.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.578 179.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.94 -18.23 61.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.182 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 44.1 mm-40 -109.11 -13.56 14.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.021 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.777 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 6.2 mtm -86.92 -40.58 14.7 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.946 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.475 ' HD3' HG12 ' A' ' 83' ' ' VAL . 6.2 mtpt -69.41 67.87 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.792 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -136.72 96.81 3.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.8 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.59 167.45 15.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.089 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.81 0.338 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 26.2 ttm 63.78 -77.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.044 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 18.3 p -86.7 52.23 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.99 0.424 . . . . 0.0 111.224 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.705 ' HB3' ' HE1' ' A' ' 82' ' ' MET . . . -81.15 -1.29 43.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.692 179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.517 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 26.6 t70 -43.96 -28.95 0.51 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.496 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.17 -70.35 0.09 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.757 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.0 ttp -54.57 -31.84 57.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.158 0.504 . . . . 0.0 109.843 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.685 HD21 ' HE3' ' A' ' 82' ' ' MET . 11.1 mp -64.66 -37.37 87.35 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.164 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -90.33 7.68 37.25 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.177 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.965 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.53 -76.5 0.18 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.832 0.349 . . . . 0.0 111.56 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.696 HD11 ' CE ' ' A' ' 48' ' ' MET . 7.7 mt -77.07 -6.56 53.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.706 -179.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.524 HD23 ' N ' ' B' ' 127' ' ' GLY . 1.2 tt -48.16 120.75 3.75 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-O 120.82 0.343 . . . . 0.0 111.189 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . 0.524 ' N ' HD23 ' B' ' 126' ' ' LEU . . . -151.26 95.06 0.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.512 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 16.0 t -154.3 -67.51 0.14 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 0.0 110.903 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.76 149.01 39.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -59.59 165.94 2.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.778 0.323 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 62.74 147.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -158.53 -45.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 4' ' ' THR . 11.9 t -168.18 120.97 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.898 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -83.21 2.05 37.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.48 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.587 ' O ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -53.97 -24.72 17.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.7 0.286 . . . . 0.0 111.336 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.527 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -93.27 -15.24 26.04 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.143 179.628 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -88.48 -49.58 6.83 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 110.936 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.07 -41.51 92.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.201 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' CB ' HG21 ' A' ' 83' ' ' VAL . . . -46.01 -56.64 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.228 179.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.659 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.8 OUTLIER -53.16 -26.74 18.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.688 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.3 -21.67 19.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.228 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CD1' ' HD3' ' A' ' 87' ' ' LYS . 2.2 m-85 -71.82 -24.11 61.66 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.039 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -112.46 161.86 16.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.14 160.19 24.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.683 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -49.95 -27.55 5.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.108 0.48 . . . . 0.0 110.169 179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -61.66 -54.88 36.81 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.71 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -20.36 54.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.231 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.662 HG12 HD21 ' A' ' 79' ' ' LEU . 67.9 mt -84.74 -64.62 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.953 0.406 . . . . 0.0 110.911 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.28 -26.35 2.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -85.24 -32.43 22.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.055 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -60.94 -34.23 74.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.863 179.113 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 4.4 tppt? -75.38 -14.79 60.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.807 179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.431 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.81 -73.22 0.04 OUTLIER 'General case' 0 N--CA 1.461 0.124 0 CA-C-N 116.258 -0.428 . . . . 0.0 112.095 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.714 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -71.47 -4.11 24.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.279 -179.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.44 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 4.8 t80 -47.73 -30.32 3.78 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.731 0.301 . . . . 0.0 111.216 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -73.12 -66.27 0.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.806 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.533 ' SD ' HD13 ' B' ' 125' ' ' LEU . 1.9 mpt? -59.09 -27.68 65.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.913 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.678 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 1.5 m-85 -56.15 -69.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -57.81 120.21 8.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.094 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.11 -47.97 6.71 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.872 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -98.2 -29.4 13.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.768 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.16 35.86 32.98 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.628 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.8 30.42 0.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.53 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -162.87 27.63 0.24 Allowed Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.555 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.427 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 49.3 m-20 55.31 -175.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 111.018 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.528 HD13 ' CG ' ' A' ' 29' ' ' PHE . 62.5 mt -86.63 124.98 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.255 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.3 p -95.43 -163.17 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.522 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 p -70.61 -55.54 8.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -34.2 74.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.166 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.475 ' HB3' HG23 ' A' ' 37' ' ' ILE . 22.2 mt-10 -57.76 -29.03 64.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.139 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -77.63 -58.75 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.146 -179.742 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -47.39 -28.32 4.6 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.82 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.645 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.3 m -56.69 -78.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.035 0.445 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.714 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -62.11 -27.47 42.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.811 -179.326 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.412 ' CE ' ' HD3' ' B' ' 115' ' ' ARG . 1.5 mmt -74.33 -29.28 61.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.401 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 mtp180 -88.79 -26.71 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.561 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.601 ' HE2' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -93.37 10.15 33.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.635 0.255 . . . . 0.0 111.476 -179.737 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.755 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.0 mt -119.88 -41.28 2.67 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.678 0.275 . . . . 0.0 111.062 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 163.88 -35.4 0.3 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.7 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.83 161.19 26.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.947 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.439 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -144.22 51.21 1.44 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.214 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' CG ' HD21 ' A' ' 58' ' ' LEU . 68.8 Cg_endo -73.72 107.88 2.51 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.562 2.175 . . . . 0.0 112.167 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 73.1 p -56.45 -178.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.015 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.2 tptt -57.17 -54.79 42.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.985 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -62.45 -30.35 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.568 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -59.13 -54.84 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.86 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.737 HD21 ' CG ' ' A' ' 53' ' ' PRO . 5.4 mt -74.18 -34.94 63.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.797 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -65.63 -24.97 67.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.068 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.8 -31.55 45.98 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.822 0.344 . . . . 0.0 110.935 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 57' ' ' GLU . 1.7 mp -82.04 -56.64 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.529 179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.5 mt -46.23 -45.87 6.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.145 0 CA-C-O 120.99 0.424 . . . . 0.0 110.958 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -54.69 -24.23 20.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.84 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -95.71 -34.59 11.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.564 HG21 HG12 ' A' ' 73' ' ' ILE . 1.2 m -69.17 -31.79 51.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.909 0.385 . . . . 0.0 110.644 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.29 110.75 18.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.33 -26.74 38.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -98.52 15.94 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.368 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 49.25 58.07 8.38 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.657 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.81 -22.43 11.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.662 0.268 . . . . 0.0 111.302 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.05 -1.13 87.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.543 -0.837 . . . . 0.0 112.44 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.427 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 3.5 p -109.83 157.76 18.86 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.788 0.327 . . . . 0.0 110.707 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.564 HG12 HG21 ' A' ' 65' ' ' VAL . 76.3 mt -112.6 120.84 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.499 -179.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.68 -169.37 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.871 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -62.14 -70.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' HA ' HD12 ' A' ' 79' ' ' LEU . 15.8 mt-10 -67.37 -28.59 68.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.082 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 81' ' ' MET . 3.6 mt-10 -53.99 -33.57 57.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.267 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.611 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 12.3 t80 -62.34 -15.41 48.11 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.926 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.971 ' O ' HG23 ' A' ' 83' ' ' VAL . 1.5 mp -92.98 -42.69 9.31 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 179.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 6' ' ' GLN . 15.6 t -62.53 -39.9 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.258 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.735 179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.611 ' HG2' ' HA ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -46.9 -41.14 15.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.378 179.806 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.675 ' SD ' ' HE2' ' A' ' 86' ' ' MET . 4.1 ttm -87.58 -32.24 19.44 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.613 179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.971 HG23 ' O ' ' A' ' 79' ' ' LEU . 65.7 t -61.31 -34.46 60.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.8 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.91 -17.05 61.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.311 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 19.9 mm-40 -108.54 -21.84 12.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.893 0.378 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.675 ' HE2' ' SD ' ' A' ' 82' ' ' MET . 7.3 mtm -78.27 -55.12 5.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.971 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -70.38 -34.47 72.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.973 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.59 169.23 9.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -135.89 148.3 48.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.217 -0.897 . . . . 0.0 111.116 179.958 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . 0.602 ' O ' ' HB2' ' B' ' 118' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.842 0.353 . . . . 0.0 111.269 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . 0.422 ' HG3' ' HA ' ' A' ' 86' ' ' MET . 1.5 tmt? -59.1 154.98 14.67 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.737 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 22.8 p 56.81 27.49 12.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.989 0.423 . . . . 0.0 110.614 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.602 ' HB2' ' O ' ' B' ' 115' ' ' ARG . . . -77.48 -1.05 28.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.335 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 7.9 t0 -46.24 -28.33 1.24 Allowed 'General case' 0 C--O 1.231 0.097 0 CA-C-O 120.696 0.284 . . . . 0.0 111.275 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -53.75 -65.2 0.61 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.713 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.701 ' HG3' HD12 ' A' ' 49' ' ' LEU . 1.7 ttp -56.65 -34.18 67.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.076 0.465 . . . . 0.0 109.762 179.096 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.673 ' CD1' ' HE1' ' A' ' 82' ' ' MET . 8.6 mp -64.16 -38.84 92.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.1 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -90.22 -6.34 55.36 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.755 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -57.49 -79.21 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.988 0.423 . . . . 0.0 111.725 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.596 HD11 HG23 ' A' ' 45' ' ' VAL . 5.5 mt -70.7 -26.02 63.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.323 -179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 6.3 mt 54.62 175.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.037 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 134.11 -178.75 18.13 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.549 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -174.93 -175.88 0.92 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.806 0.336 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -128.6 163.37 25.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 72.1 m-70 -121.72 104.0 9.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.178 -0.915 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.82 0.343 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -63.43 168.52 4.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.4 mtm -174.12 -41.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.804 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 8.9 t -166.02 123.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.793 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -82.87 2.3 35.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.502 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -50.35 -27.36 6.13 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.512 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -72.56 -14.58 61.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.804 0.335 . . . . 0.0 111.089 179.911 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -90.14 -48.97 6.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.828 0.347 . . . . 0.0 111.019 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' HB3' ' CE1' ' A' ' 13' ' ' PHE . 4.3 mt-10 -57.12 -40.65 77.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.02 0.438 . . . . 0.0 110.186 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.805 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -44.44 -54.13 6.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.298 179.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.709 ' HA ' HD22 ' A' ' 79' ' ' LEU . 1.9 ttt180 -54.6 -27.1 36.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.754 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.87 -19.91 19.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.239 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.428 ' CE1' ' HB3' ' A' ' 9' ' ' GLU . 2.8 m-85 -70.35 -12.07 61.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.29 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' CD2' ' CE ' ' A' ' 86' ' ' MET . 7.3 mt -126.55 162.9 24.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 111.02 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -73.82 153.83 39.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.663 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -49.77 -28.09 5.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.189 0.518 . . . . 0.0 110.027 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -62.35 -48.73 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.479 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -65.86 -16.16 63.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.33 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.572 HD11 ' O ' ' A' ' 11' ' ' ARG . 64.7 mt -84.54 -63.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-O 120.841 0.353 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -51.64 -24.62 5.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.255 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -87.35 -33.19 19.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.248 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -62.02 -33.3 74.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 179.292 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -75.47 -12.66 60.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.617 179.276 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -43.83 -78.28 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 112.292 0.478 . . . . 0.0 112.292 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.848 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -73.09 -5.88 41.97 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -179.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.484 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 14.1 t80 -46.57 -28.96 1.59 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 120.695 0.284 . . . . 0.0 111.521 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.9 -61.07 2.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 4.8 mtt -59.11 -26.69 64.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.986 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.863 ' CE2' HG11 ' A' ' 45' ' ' VAL . 0.5 OUTLIER -56.84 -73.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.898 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -50.26 119.53 3.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.109 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -87.65 -51.83 5.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.963 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -80.24 -25.97 39.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.59 32.51 50.53 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -166.27 30.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.548 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -141.42 -112.12 0.92 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.416 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 33.5 m-20 -161.04 -175.16 4.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.632 HD13 ' CD1' ' A' ' 29' ' ' PHE . 80.4 mt -98.13 127.28 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.6 t -119.18 -164.34 1.04 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.586 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.951 HG23 HD12 ' A' ' 62' ' ' ILE . 0.2 OUTLIER -65.06 -24.93 67.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.187 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -84.76 -39.21 18.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.319 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.484 ' HB2' HG23 ' A' ' 37' ' ' ILE . 8.5 mt-10 -69.98 -17.35 63.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.459 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.762 HD22 ' HE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -82.9 -61.4 1.88 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.758 0.313 . . . . 0.0 111.086 -179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -48.04 -27.99 5.52 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.657 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.688 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.04 -76.41 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.98 0.419 . . . . 0.0 111.063 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.863 HG11 ' CE2' ' A' ' 29' ' ' PHE . 8.2 p -64.35 -24.95 36.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.771 -179.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.457 ' HG3' HD12 ' A' ' 42' ' ' LEU . 2.3 mmt -76.7 -32.43 57.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.4 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -85.43 -28.12 25.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.502 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.707 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.2 OUTLIER -92.48 10.17 31.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.593 -179.724 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.992 HD22 ' HB1' ' B' ' 124' ' ' ALA . 17.8 mt -119.72 -41.08 2.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.827 0.346 . . . . 0.0 111.012 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 161.97 -33.7 0.35 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.375 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HB3' ' HD3' ' A' ' 53' ' ' PRO . 0.0 OUTLIER -68.02 159.76 30.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.759 0.314 . . . . 0.0 110.71 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.425 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 55.0 t-20 -144.14 51.74 1.63 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.505 -179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.711 ' CG ' HD21 ' A' ' 58' ' ' LEU . 71.6 Cg_endo -74.15 107.9 2.54 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.54 2.16 . . . . 0.0 112.077 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -59.01 -177.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.915 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.487 ' H ' HG22 ' A' ' 54' ' ' THR . 0.1 OUTLIER -57.06 -53.29 59.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.786 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.7 m -61.17 -32.07 71.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.628 179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.44 -60.49 3.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.842 179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.711 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.6 mt -67.52 -31.08 70.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.768 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -66.73 -27.09 67.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.801 179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.68 -30.89 59.52 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.573 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.6 mp -80.07 -59.17 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.38 179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.951 HD12 HG23 ' A' ' 39' ' ' THR . 20.2 mt -45.2 -47.51 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.13 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.26 -33.84 65.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.366 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.87 -34.87 24.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.028 179.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 81' ' ' MET . 88.4 t -65.82 -47.09 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.441 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -80.06 97.89 7.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.228 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -76.11 -25.48 55.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.749 179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -85.11 -29.81 24.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.956 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.79 49.78 1.74 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.287 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.41 -21.68 12.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.721 0.296 . . . . 0.0 111.248 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.36 5.4 72.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.435 -179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.416 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 78.8 p -119.2 141.8 48.56 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.896 0.379 . . . . 0.0 110.807 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 36.0 mt -98.65 119.02 46.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.393 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -72.38 -168.54 0.43 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.95 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -60.34 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.98 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 79' ' ' LEU . 3.8 mp0 -62.93 -29.23 70.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.036 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.469 ' O ' ' HG2' ' A' ' 81' ' ' MET . 9.4 mt-10 -50.87 -26.07 5.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.306 -179.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.492 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 4.6 t80 -64.32 -13.6 51.16 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.938 179.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.0 mp -95.38 -44.97 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 178.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.805 HG22 ' HB2' ' A' ' 10' ' ' ALA . 24.6 t -61.26 -35.9 69.2 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.74 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.598 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.4 ptm -47.54 -40.32 18.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.339 0.59 . . . . 0.0 110.288 179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.841 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.9 OUTLIER -93.31 -32.52 14.27 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.326 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 79' ' ' LEU . 61.7 t -57.13 -31.58 37.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-O 120.861 0.362 . . . . 0.0 110.539 179.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.425 ' HG3' HG12 ' A' ' 80' ' ' VAL . 2.9 mtt-85 -77.85 -26.48 49.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.854 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -103.08 13.04 35.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.557 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.422 ' HE2' ' HB3' ' A' ' 82' ' ' MET . 4.2 mtm -116.1 -45.32 2.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.66 -179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.485 ' HD3' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -137.08 61.81 1.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.833 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.32 166.16 24.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.22 159.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.255 -0.879 . . . . 0.0 111.098 179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 12.7 ptp180 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.788 0.328 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -64.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.825 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.529 ' C ' ' H ' ' B' ' 119' ' ' ASP . 77.7 p -57.32 -100.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.736 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.841 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . 68.44 -26.0 0.14 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 -179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' B' ' 117' ' ' SER . 34.2 t0 -47.45 -30.01 3.09 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-O 121.043 0.449 . . . . 0.0 110.394 179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -52.61 -52.34 55.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.44 179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.655 ' HG3' HD12 ' A' ' 49' ' ' LEU . 3.1 ttp -64.51 -34.27 77.84 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 22' ' ' PHE . 8.8 mp -65.28 -39.91 93.19 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.027 179.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 17.2 ttt180 -90.39 11.72 20.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.178 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.992 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -76.77 -74.44 0.24 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 111.334 -179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.707 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.8 mt -75.55 -24.16 56.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.117 -179.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 14.2 mt 58.22 178.21 0.06 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . 179.71 162.8 29.36 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.491 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 47.6 t -149.7 88.63 1.56 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -168.59 119.03 0.75 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -125.13 103.24 7.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.832 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.928 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.773 0.32 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.0 m 60.54 104.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -164.97 -43.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 t -165.15 122.0 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.802 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -108.46 0.33 20.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.551 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.578 ' HG3' HG21 ' A' ' 80' ' ' VAL . 19.6 pt20 -54.96 -25.1 27.31 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.739 0.304 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.529 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 15.7 mp0 -78.78 -20.31 50.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.066 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.14 -50.06 8.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 13' ' ' PHE . 5.2 mm-40 -56.21 -39.02 71.82 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.049 0.452 . . . . 0.0 109.995 179.374 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -43.64 -58.33 2.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.468 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.505 ' O ' HD11 ' A' ' 19' ' ' ILE . 6.6 mtp85 -53.04 -25.43 12.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.23 -19.34 18.65 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.288 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -78.14 -24.79 47.22 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.785 0.326 . . . . 0.0 111.054 -179.809 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD21 ' CE ' ' A' ' 86' ' ' MET . 17.7 mt -106.65 162.18 13.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.045 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.58 161.94 25.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.599 179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -50.15 -27.65 6.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.064 0.459 . . . . 0.0 110.113 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -61.23 -55.47 31.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.72 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.445 ' HE1' ' HB2' ' B' ' 119' ' ' ASP . 0.0 OUTLIER -60.3 -20.07 57.65 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.078 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.505 HD11 ' O ' ' A' ' 11' ' ' ARG . 57.7 mt -86.24 -64.4 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.817 0.341 . . . . 0.0 110.755 179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -48.69 -26.22 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.975 0.416 . . . . 0.0 110.978 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' HB3' ' C ' ' B' ' 122' ' ' LEU . 25.0 mt-10 -88.83 -31.08 18.49 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.051 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' HA ' ' HG ' ' B' ' 122' ' ' LEU . 0.0 OUTLIER -60.02 -34.82 73.88 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.825 179.047 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -73.27 -17.19 61.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.774 179.731 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' B' ' 122' ' ' LEU . . . -45.13 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -179.693 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.649 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -74.05 -2.63 25.16 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 -178.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 16.9 t80 -51.28 -26.56 7.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.713 0.292 . . . . 0.0 111.283 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -84.69 -61.14 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.951 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -26.4 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.598 ' CG ' HD13 ' A' ' 37' ' ' ILE . 2.3 m-85 -55.85 -67.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -58.09 120.05 7.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.05 -47.54 6.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.89 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -93.19 -24.78 18.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.911 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.56 63.17 4.06 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.581 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -162.12 -42.55 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.508 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.86 -104.45 2.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.526 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 36.5 m-20 -158.81 -174.7 4.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.812 0.339 . . . . 0.0 110.836 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' CG ' ' A' ' 29' ' ' PHE . 55.8 mt -83.16 116.26 27.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 53.0 p -98.03 -164.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.782 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.488 ' CG2' HD12 ' A' ' 62' ' ' ILE . 19.2 p -67.66 -29.15 68.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.035 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.5 mtmt -81.98 -43.71 17.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.057 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -56.76 -22.72 37.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.242 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.625 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.22 -58.71 3.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.196 -179.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.28 -26.31 9.3 Favored Glycine 0 C--N 1.33 0.207 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.656 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.663 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -57.66 -76.84 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.689 HG23 ' CE ' ' A' ' 48' ' ' MET . 7.2 p -62.23 -28.28 44.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.749 -179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.401 ' HG3' HD12 ' A' ' 42' ' ' LEU . 1.8 mmt -72.87 -30.71 64.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.3 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 76.9 mtt-85 -86.2 -30.1 22.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.56 -179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.689 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -90.26 10.1 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.637 -0.256 . . . . 0.0 111.439 -179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.043 HD22 ' HB1' ' B' ' 124' ' ' ALA . 16.8 mt -119.32 -38.97 2.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.747 0.308 . . . . 0.0 110.997 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 159.11 -35.27 0.49 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.647 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -67.98 160.28 28.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.868 0.366 . . . . 0.0 110.979 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.437 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 10.2 t30 -144.12 51.6 1.59 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.038 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.623 ' CG ' HD21 ' A' ' 58' ' ' LEU . 58.9 Cg_endo -71.37 112.66 3.39 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.524 2.149 . . . . 0.0 112.104 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.1 p -56.12 174.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.44 -48.91 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.8 m -61.28 -36.56 80.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.788 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.638 ' O ' HD12 ' A' ' 61' ' ' ILE . 3.2 tt0 -58.08 -60.15 4.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.625 HD22 ' HB3' ' A' ' 42' ' ' LEU . 5.4 mt -65.32 -31.79 73.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.672 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -71.81 -25.12 61.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.713 179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.29 -31.03 54.51 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 110.712 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.0 mp -79.73 -60.34 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.308 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.508 HG21 ' O ' ' A' ' 71' ' ' GLY . 43.0 mt -45.53 -43.49 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.125 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.014 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.5 t -57.41 -33.71 68.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.393 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -85.8 -35.9 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.17 179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.548 HG22 ' HA ' ' A' ' 81' ' ' MET . 59.5 t -65.49 -50.04 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.529 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -70.14 110.68 5.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.075 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -100.97 30.62 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.669 179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -138.23 -45.42 0.51 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.935 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 119.95 42.75 0.51 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.236 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.71 -24.72 10.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.719 0.295 . . . . 0.0 111.289 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.508 ' O ' HG21 ' A' ' 62' ' ' ILE . . . 72.34 9.88 73.66 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.201 -179.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.425 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 10.1 p -120.06 168.44 11.18 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.852 0.358 . . . . 0.0 110.637 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.494 HG23 ' HB3' ' A' ' 77' ' ' GLU . 41.7 mt -119.65 120.44 63.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.916 -179.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -165.32 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -62.67 -73.17 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.516 ' HA ' HD12 ' A' ' 79' ' ' LEU . 2.3 pm0 -71.09 -22.4 62.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.024 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.494 ' HB3' HG23 ' A' ' 73' ' ' ILE . 3.8 mt-10 -52.52 -27.03 14.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.12 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.528 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 30.8 t80 -70.57 -11.09 60.71 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.717 0.294 . . . . 0.0 111.139 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 76' ' ' GLU . 1.2 mp -94.85 -44.01 7.94 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.815 0.34 . . . . 0.0 110.145 179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.578 HG21 ' HG3' ' A' ' 6' ' ' GLN . 5.5 p -64.67 -32.56 58.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.056 179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.548 ' HA ' HG22 ' A' ' 65' ' ' VAL . 1.1 ptm -50.87 -41.82 58.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.284 0.564 . . . . 0.0 110.504 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.847 ' CE ' HD21 ' B' ' 122' ' ' LEU . 3.4 ttm -76.85 -37.47 55.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.279 -0.873 . . . . 0.0 110.65 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.532 HG13 ' CD ' ' A' ' 87' ' ' LYS . 56.7 t -56.97 -34.36 44.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.889 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.6 -15.57 61.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.191 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 52.3 mm-40 -109.4 -27.02 9.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.923 0.392 . . . . 0.0 110.818 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.603 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 8.6 mtm -72.73 -54.56 8.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.791 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.532 ' CD ' HG13 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -68.35 -29.42 68.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -153.84 114.29 3.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -110.95 -179.03 3.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.234 -0.889 . . . . 0.0 111.094 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . 0.47 ' CG ' HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 CA-C-O 120.733 0.301 . . . . 0.0 111.075 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . 0.409 ' HG3' ' HA ' ' A' ' 86' ' ' MET . 53.5 ttp 63.21 -78.4 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.459 ' C ' ' H ' ' B' ' 119' ' ' ASP . 63.0 m -49.3 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.724 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.82 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . 69.09 -40.27 0.45 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.534 0.206 . . . . 0.0 111.449 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.697 ' HA ' HD22 ' B' ' 122' ' ' LEU . 9.0 t70 -40.74 -30.0 0.11 Allowed 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.747 0.308 . . . . 0.0 111.561 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -54.3 -61.96 1.96 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.37 179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.759 ' HG3' HD12 ' A' ' 49' ' ' LEU . 8.9 ttp -60.45 -30.54 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 178.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.847 HD21 ' CE ' ' A' ' 82' ' ' MET . 5.4 mp -64.09 -42.31 96.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.757 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.23 12.89 16.69 Favored 'General case' 0 CA--C 1.529 0.15 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.043 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -77.21 -71.87 0.38 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.99 0.424 . . . . 0.0 111.542 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.608 HD11 HG23 ' A' ' 45' ' ' VAL . 8.4 mt -74.53 -27.65 60.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.69 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.53 HD23 ' H ' ' B' ' 127' ' ' GLY . 0.5 OUTLIER -159.56 152.6 21.93 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.888 0.375 . . . . 0.0 111.234 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . 0.53 ' H ' HD23 ' B' ' 126' ' ' LEU . . . 167.26 -169.73 41.16 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.542 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 1.3 m -99.31 125.25 44.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.1 tptt -59.68 135.03 57.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -130.85 -46.42 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.852 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.852 0.358 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.08 174.76 9.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.8 ptt? -153.17 -48.54 0.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.0 t -177.07 119.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.877 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -110.87 1.48 17.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.393 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.1 -30.47 36.59 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.478 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.34 -23.68 61.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.721 179.741 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.32 -51.58 9.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.678 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' PHE . 10.3 mt-10 -57.08 -42.46 80.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.932 179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -43.3 -59.73 1.98 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.372 179.15 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.66 -26.53 22.91 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.758 179.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.7 -19.18 20.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.231 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.2 OUTLIER -79.85 -38.79 32.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.006 -179.62 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.7 OUTLIER -89.23 156.74 18.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.47 154.83 36.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.748 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.59 -28.38 5.61 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.116 0.484 . . . . 0.0 110.284 179.274 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.5 -47.14 86.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.553 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.683 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -66.46 -28.91 68.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.922 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.7 mt -71.24 -60.8 2.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 121.016 0.436 . . . . 0.0 110.694 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.428 ' HB1' ' HD2' ' B' ' 129' ' ' LYS . . . -48.28 -28.01 2.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.018 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.404 ' OE1' HD23 ' B' ' 126' ' ' LEU . 4.3 mm-40 -87.96 -31.91 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.918 179.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.761 ' CD2' HD23 ' A' ' 79' ' ' LEU . 1.4 m-85 -58.42 -34.93 71.33 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.144 179.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 2.5 tmtt? -79.45 -12.81 59.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.302 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -45.05 -72.2 0.06 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.882 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -77.26 -1.81 31.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.147 -0.478 . . . . 0.0 112.16 -179.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 17.0 t80 -51.03 -26.58 6.36 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 120.743 0.306 . . . . 0.0 111.33 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -85.08 -44.8 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.012 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 25.4 mmt -68.8 -30.22 68.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.982 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.627 ' CE2' ' HB3' ' A' ' 25' ' ' ALA . 25.3 m-85 -59.08 -75.63 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -55.27 119.41 5.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.336 -179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -94.54 -46.83 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.735 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.4 p-10 -98.91 -29.19 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 77.41 44.01 14.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.533 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.12 28.11 0.24 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.625 -0.797 . . . . 0.0 112.627 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -165.23 28.04 0.2 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.667 -0.777 . . . . 0.0 112.671 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.54 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 12.8 m-20 52.75 -163.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.85 0.357 . . . . 0.0 111.083 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.598 HD13 ' CG ' ' A' ' 29' ' ' PHE . 19.3 mt -91.78 130.14 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.414 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.8 t -105.78 -164.21 1.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.63 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.793 HG22 HD12 ' A' ' 62' ' ' ILE . 11.5 p -71.16 -40.29 71.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.091 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.0 mttp -72.59 -38.57 67.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -58.36 -24.98 61.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.307 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 46' ' ' MET . 0.3 OUTLIER -80.28 -59.69 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.297 -179.749 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -49.88 -30.01 14.66 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.649 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.662 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.1 m -57.21 -75.82 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.064 0.459 . . . . 0.0 111.06 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.882 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.5 p -62.07 -27.29 42.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.786 -179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.491 ' HE1' ' HG2' ' A' ' 51' ' ' GLN . 0.0 OUTLIER -76.66 -31.67 57.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.44 -179.428 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.9 mtp-105 -87.08 -27.53 23.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.639 0.257 . . . . 0.0 111.325 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.592 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.1 OUTLIER -92.47 10.1 31.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.472 -179.769 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.086 HD22 ' HB1' ' B' ' 124' ' ' ALA . 18.8 mt -119.49 -40.92 2.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.817 0.342 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 162.92 -36.45 0.33 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.596 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.491 ' HG2' ' HE1' ' A' ' 46' ' ' MET . 1.1 tp-100 -67.99 160.8 27.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.765 0.317 . . . . 0.0 110.868 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -144.22 58.65 6.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.096 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.75 ' CG ' HD21 ' A' ' 58' ' ' LEU . 73.5 Cg_endo -74.29 107.99 2.57 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.587 2.192 . . . . 0.0 112.168 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.1 p -56.15 179.23 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.068 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -43.28 82.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 57.6 m -72.63 -30.4 64.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.789 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.542 ' O ' HD12 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -57.2 -59.23 5.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 53' ' ' PRO . 10.5 mt -69.23 -31.98 70.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.77 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.76 -21.84 66.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.059 179.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.24 -31.81 26.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.338 . . . . 0.0 110.814 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.542 HD12 ' O ' ' A' ' 57' ' ' GLU . 2.8 mp -82.35 -58.16 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.488 179.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.793 HD12 HG22 ' A' ' 39' ' ' THR . 46.5 mt -45.3 -44.47 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.182 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.55 -39.85 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.314 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.85 -33.29 57.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.259 179.347 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.492 HG22 ' CB ' ' A' ' 81' ' ' MET . 72.4 t -67.02 -55.76 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.598 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -67.37 119.32 12.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.942 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.15 28.76 6.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.885 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -155.92 26.03 0.38 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.64 54.92 10.12 Favored Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.696 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.7 p -116.72 -25.42 7.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.643 0.259 . . . . 0.0 111.473 -179.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.51 11.12 61.69 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.122 -179.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 25.2 p -111.86 140.23 46.68 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.846 0.355 . . . . 0.0 110.968 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.547 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 28.6 mt -105.84 96.58 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.428 -179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -52.59 -179.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.023 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -51.71 -77.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.058 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 7' ' ' GLN . 33.2 mp0 -61.21 -27.95 68.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.954 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 81' ' ' MET . 4.4 mt-10 -52.87 -23.81 7.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.637 -179.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 55.3 t80 -72.61 -14.79 61.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.641 0.257 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.761 HD23 ' CD2' ' A' ' 22' ' ' PHE . 3.1 mp -95.46 -48.32 5.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 77' ' ' GLU . 8.8 p -58.67 -35.12 53.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.876 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 77' ' ' GLU . 1.8 ptm -48.13 -41.49 26.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.787 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.0 OUTLIER -85.21 -32.96 22.36 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.89 179.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.852 HG13 ' CE ' ' A' ' 87' ' ' LYS . 65.4 t -57.21 -30.65 35.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.943 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.402 ' NH1' ' HA ' ' A' ' 65' ' ' VAL . 12.9 mtt85 -83.05 -20.79 34.31 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.061 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.461 ' HG2' ' O ' ' A' ' 81' ' ' MET . 7.3 mm-40 -112.96 1.41 15.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.035 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.586 ' HE3' ' HB3' ' A' ' 82' ' ' MET . 1.6 ptp -116.56 -26.43 7.06 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.034 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.852 ' CE ' HG13 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -114.76 98.15 6.68 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.785 179.337 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.14 -170.71 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -105.55 159.35 16.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.807 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.27 -0.871 . . . . 0.0 111.122 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 5.6 mtt85 . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.761 0.315 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 25.3 ttt -62.06 -72.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.826 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 4.1 p -78.81 59.71 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.787 ' HB3' ' SD ' ' A' ' 82' ' ' MET . . . -82.77 0.57 43.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.626 179.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.461 ' HA ' ' HB2' ' B' ' 122' ' ' LEU . 30.0 t70 -46.38 -28.6 1.39 Allowed 'General case' 0 C--O 1.23 0.067 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.028 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -51.79 -70.16 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.002 179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.738 ' CE ' HD12 ' B' ' 122' ' ' LEU . 0.6 OUTLIER -54.71 -33.1 60.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.067 0.46 . . . . 0.0 109.897 179.333 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.738 HD12 ' CE ' ' B' ' 121' ' ' MET . 8.6 mp -65.59 -35.49 80.98 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.177 179.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.35 -6.6 54.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.139 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 1.086 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -58.29 -71.54 0.11 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 111.67 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.592 HD21 ' HE1' ' A' ' 48' ' ' MET . 9.0 mt -78.84 -19.03 53.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.444 -179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.404 HD23 ' OE1' ' A' ' 21' ' ' GLU . 32.2 mt 65.11 -71.76 0.08 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.275 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' B' ' 125' ' ' LEU . . . 131.47 -112.36 1.19 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 65.1 m -144.55 100.75 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.871 0.367 . . . . 0.0 110.963 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . 0.428 ' HD2' ' HB1' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -140.22 30.34 1.98 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -87.76 103.0 15.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.238 -0.886 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.307 0 CA-C-O 120.807 0.337 . . . . 0.0 111.087 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -109.24 133.93 52.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.014 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.433 ' CE ' ' HA ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -144.04 -62.75 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.747 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.6 p -109.77 107.05 16.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -75.39 -5.27 44.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.473 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.707 ' CG ' HG21 ' A' ' 80' ' ' VAL . 3.4 pt20 -47.81 -30.05 3.68 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.838 0.351 . . . . 0.0 110.963 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.435 ' HA ' ' HB ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -64.01 -33.42 75.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.769 179.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.72 -53.14 14.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.916 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.9 mm-40 -53.6 -39.86 65.24 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.547 ' HA ' HG21 ' A' ' 83' ' ' VAL . . . -42.76 -61.35 1.28 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.51 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.46 ' CG ' HD22 ' A' ' 79' ' ' LEU . 10.8 mtp180 -52.27 -26.2 11.35 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.989 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -94.55 -19.37 20.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.275 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -76.17 -13.4 60.19 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.241 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.856 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -129.19 172.07 11.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.891 0.377 . . . . 0.0 110.878 -179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.12 162.3 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.672 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.01 -27.38 5.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.058 0.456 . . . . 0.0 110.123 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.72 -60.63 3.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.71 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.856 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -55.18 -23.29 21.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.155 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' HA ' ' CD2' ' A' ' 22' ' ' PHE . 50.1 mt -73.87 -63.88 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.004 0.431 . . . . 0.0 110.721 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.09 -27.35 3.31 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.115 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.474 ' O ' ' HB3' ' A' ' 24' ' ' ALA . 1.1 mm-40 -78.38 -33.36 48.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.425 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.649 ' HE2' HD13 ' A' ' 14' ' ' LEU . 19.4 m-85 -62.91 -47.35 83.64 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.48 179.49 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.429 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -67.56 -15.56 63.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.976 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 21' ' ' GLU . . . -47.95 -71.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.087 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.676 ' HB2' HD12 ' B' ' 125' ' ' LEU . . . -80.93 -0.81 40.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.897 -179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.429 ' HB2' ' HA ' ' A' ' 23' ' ' LYS . 28.0 t80 -55.6 -30.47 60.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.756 0.312 . . . . 0.0 111.208 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -78.73 -49.95 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.874 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.0 tpp -68.06 -27.61 66.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.738 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.54 ' CE1' HG11 ' A' ' 45' ' ' VAL . 2.9 m-85 -57.11 -67.7 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -57.89 118.3 5.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.122 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -95.05 -46.55 6.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -62.29 -20.13 63.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.985 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 142.29 -80.68 0.25 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.502 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -142.7 48.69 0.76 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.53 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -93.23 -110.38 2.01 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.41 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -140.71 -176.09 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.857 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.428 HD11 ' CG ' ' A' ' 29' ' ' PHE . 57.9 mt -112.95 115.27 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.153 -179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 m -104.18 -164.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.595 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.655 HG22 HD12 ' A' ' 62' ' ' ILE . 67.2 p -67.11 -20.18 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.258 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.91 -28.87 17.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.311 -179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -75.47 -25.16 57.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.46 -0.337 . . . . 0.0 111.368 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -80.18 -50.57 10.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.805 0.336 . . . . 0.0 111.181 -179.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -56.71 -21.24 35.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.705 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.63 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.8 m -62.47 -81.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 0.0 111.183 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.698 HG23 ' CE ' ' A' ' 48' ' ' MET . 2.7 p -54.94 -37.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.91 -179.231 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.474 ' HE1' ' HE2' ' B' ' 121' ' ' MET . 2.6 mmt -65.43 -23.76 67.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.513 -179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.12 -36.17 18.25 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.698 ' CE ' HG23 ' A' ' 45' ' ' VAL . 0.1 OUTLIER -80.59 -20.38 43.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.686 0.279 . . . . 0.0 111.336 -179.574 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.624 ' CD1' HG22 ' A' ' 45' ' ' VAL . 77.6 mt -82.86 -47.49 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.372 . . . . 0.0 111.119 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 155.8 -23.9 0.55 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.509 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.81 160.85 27.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.701 0.286 . . . . 0.0 110.59 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 46.8 p-10 -144.17 54.34 2.76 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 120.822 0.344 . . . . 0.0 111.426 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.75 ' CG ' HD21 ' A' ' 58' ' ' LEU . 52.6 Cg_endo -68.51 107.68 1.67 Allowed 'Trans proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.513 2.142 . . . . 0.0 111.866 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.406 HG22 ' H ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -55.25 173.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 -179.642 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.406 ' H ' HG22 ' A' ' 54' ' ' THR . 19.3 tptm -55.54 -45.39 77.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.772 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -64.68 -32.04 73.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.652 179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -62.29 -66.52 0.53 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.75 HD21 ' CG ' ' A' ' 53' ' ' PRO . 12.1 mt -61.44 -33.8 74.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.714 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.06 -24.36 62.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.866 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.05 -32.68 50.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.792 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.409 ' O ' HG23 ' A' ' 65' ' ' VAL . 1.9 mp -79.35 -61.56 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.3 179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.655 HD12 HG22 ' A' ' 39' ' ' THR . 51.8 mt -43.84 -35.5 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.388 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.4 -45.05 66.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.422 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -69.39 -37.66 77.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.397 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.632 HG11 ' HB3' ' A' ' 81' ' ' MET . 78.6 t -66.36 -63.97 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.717 179.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -59.89 118.02 5.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -98.13 26.69 5.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.965 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' CG ' ' HG ' ' A' ' 70' ' ' SER . 12.9 p-10 -148.6 21.26 1.04 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.2 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 47.84 37.66 15.36 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.801 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.406 ' HG ' ' CG ' ' A' ' 68' ' ' ASP . 1.5 p -92.22 -29.27 16.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.099 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.81 8.66 73.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.562 -0.827 . . . . 0.0 112.535 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 53.0 p -118.22 132.89 56.29 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.793 0.33 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.522 HG23 ' HB3' ' A' ' 77' ' ' GLU . 59.1 mt -93.8 116.92 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.022 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.57 -165.59 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.069 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -78.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.097 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 79' ' ' LEU . 28.4 mm-40 -62.86 -23.67 67.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.042 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.522 ' HB3' HG23 ' A' ' 73' ' ' ILE . 3.0 mt-10 -51.43 -28.82 13.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.616 ' HA ' ' HG2' ' A' ' 81' ' ' MET . 32.7 t80 -66.29 -18.92 65.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.04 179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.763 ' O ' HG23 ' A' ' 83' ' ' VAL . 3.4 mp -90.68 -35.65 14.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.906 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.707 HG21 ' CG ' ' A' ' 6' ' ' GLN . 5.1 p -76.63 -34.79 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.207 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.632 ' HB3' HG11 ' A' ' 65' ' ' VAL . 1.3 ptm -50.3 -39.21 44.9 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.777 0.799 . . . . 0.0 110.12 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.942 ' CE ' ' HB3' ' B' ' 118' ' ' ALA . 4.3 mmm -76.16 -41.6 49.32 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.223 -1.353 . . . . 0.0 110.893 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 79' ' ' LEU . 41.7 t -58.29 -31.15 41.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.03 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.79 -6.95 53.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.344 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 81' ' ' MET . 2.1 mt-30 -116.12 -22.67 8.82 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.703 0.287 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.534 ' CE ' ' HB3' ' A' ' 82' ' ' MET . 11.8 mtt -79.62 -40.91 28.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.007 -179.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' HD3' HG12 ' A' ' 83' ' ' VAL . 0.7 OUTLIER -71.52 -46.92 58.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.988 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 75.26 -58.59 0.56 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.108 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 74.29 146.64 0.09 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.117 -179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.796 0.331 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 17.6 ttt -97.96 161.52 13.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.605 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . . . . . . . . . 17.8 p 52.07 33.83 12.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.048 0.452 . . . . 0.0 110.579 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.942 ' HB3' ' CE ' ' A' ' 82' ' ' MET . . . -76.44 0.6 19.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.337 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.454 ' HA ' HD22 ' B' ' 122' ' ' LEU . 25.7 t70 -46.29 -26.21 0.77 Allowed 'General case' 0 CA--C 1.527 0.068 0 CA-C-O 120.693 0.282 . . . . 0.0 111.415 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -47.42 -72.79 0.05 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.303 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.551 ' HA ' HD13 ' A' ' 49' ' ' LEU . 11.9 ttp -50.78 -41.34 56.94 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.204 0.526 . . . . 0.0 109.842 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.461 HD23 ' CE1' ' A' ' 22' ' ' PHE . 1.4 mp -59.88 -30.69 69.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.085 179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' B' ' 119' ' ' ASP . 8.3 ttt180 -90.55 -21.74 21.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 179.164 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.542 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -52.4 -72.66 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.999 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.676 HD12 ' HB2' ' A' ' 25' ' ' ALA . 9.3 mt -75.77 -5.95 48.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.886 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.81 -65.88 0.56 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.831 0.348 . . . . 0.0 110.942 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -137.61 114.57 1.11 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.47 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 80.1 p -84.51 58.07 4.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.88 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.45 -45.31 1.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -111.67 -65.32 1.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.207 -0.902 . . . . 0.0 110.83 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.826 0.346 . . . . 0.0 111.07 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.3 175.32 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.57 -43.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.004 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.5 p -131.81 112.67 12.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -89.03 2.08 54.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.452 -179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.454 ' NE2' HG11 ' A' ' 80' ' ' VAL . 16.1 pt20 -48.87 -42.53 36.93 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.815 0.341 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.466 ' HA ' ' CG2' ' A' ' 80' ' ' VAL . 1.0 OUTLIER -58.61 -28.85 66.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.732 179.467 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.11 -53.89 6.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.176 -179.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.6 mt-10 -58.86 -42.96 90.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.152 179.66 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.967 ' HB2' HG22 ' A' ' 80' ' ' VAL . . . -45.29 -56.45 4.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.169 179.39 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.659 ' HA ' HD22 ' A' ' 79' ' ' LEU . 0.0 OUTLIER -55.17 -24.44 26.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.845 179.566 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -97.26 -16.24 20.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.465 179.931 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 87' ' ' LYS . 82.7 t80 -69.24 -27.29 65.33 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.641 0.258 . . . . 0.0 111.232 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.88 HD22 ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -113.37 174.08 6.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.388 . . . . 0.0 111.028 -179.739 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.65 161.51 16.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.71 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -50.03 -28.1 6.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.122 0.487 . . . . 0.0 110.164 179.097 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -61.16 -46.9 88.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.583 179.311 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.88 ' HG2' HD22 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -74.39 -18.28 60.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.122 179.972 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.615 HD11 ' O ' ' A' ' 11' ' ' ARG . 46.3 mt -81.98 -65.01 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.168 0 CA-C-O 120.792 0.329 . . . . 0.0 110.776 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -49.98 -27.21 5.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.073 0.463 . . . . 0.0 110.816 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -86.51 -31.15 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.952 179.083 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.659 ' CD1' HD21 ' B' ' 122' ' ' LEU . 0.1 OUTLIER -60.72 -36.12 78.05 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.29 179.246 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -80.52 -8.44 59.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.119 179.939 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.48 ' HB1' ' N ' ' B' ' 126' ' ' LEU . . . -44.17 -73.32 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.774 ' CB ' HG21 ' A' ' 45' ' ' VAL . . . -74.63 -0.93 19.49 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -179.12 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.46 ' CZ ' ' CE1' ' A' ' 75' ' ' PHE . 3.8 t80 -47.73 -27.99 2.25 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.741 0.305 . . . . 0.0 111.609 -179.859 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -85.57 -49.87 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.302 -179.72 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -28.33 69.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.247 -179.678 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.625 ' CE1' HG11 ' A' ' 45' ' ' VAL . 14.8 m-85 -57.3 -74.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.991 0.424 . . . . 0.0 111.139 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -50.45 119.58 3.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.5 -179.634 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.17 -48.94 6.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.794 179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -88.58 -26.13 22.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.835 179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.14 68.03 1.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.516 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 178.61 37.57 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.567 179.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -173.72 -103.69 0.17 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.408 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.428 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 39.4 m-20 -155.89 -176.26 5.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.915 0.388 . . . . 0.0 110.945 179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.62 HD13 ' CG ' ' A' ' 29' ' ' PHE . 36.6 mt -87.67 131.26 35.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.173 -179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.6 t -110.06 -164.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.731 179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.947 HG22 HD12 ' A' ' 62' ' ' ILE . 74.7 p -68.96 -48.77 62.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -63.51 -30.67 71.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.101 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -69.92 -25.12 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.193 -179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.669 ' HB3' HD22 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -80.75 -56.13 4.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.288 -179.585 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -50.82 -30.77 22.52 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.668 -179.902 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.667 HG22 ' N ' ' A' ' 45' ' ' VAL . 1.2 m -56.61 -77.57 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.971 0.415 . . . . 0.0 111.148 -179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.774 HG21 ' CB ' ' A' ' 25' ' ' ALA . 7.6 p -60.24 -30.57 46.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.027 -179.144 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.583 ' HE1' ' HG2' ' A' ' 51' ' ' GLN . 1.1 mtp -73.54 -34.52 65.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.6 -179.098 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.5 mtp-105 -82.97 -26.7 31.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.593 0.235 . . . . 0.0 111.58 -179.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.713 ' HE1' HD21 ' B' ' 125' ' ' LEU . 0.3 OUTLIER -94.05 10.15 34.8 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 -179.688 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.751 HD12 ' HG3' ' B' ' 121' ' ' MET . 15.0 mt -121.11 -42.6 2.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.678 0.275 . . . . 0.0 111.108 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 170.47 -42.54 0.2 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.918 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.583 ' HG2' ' HE1' ' A' ' 46' ' ' MET . 25.3 mp0 -67.83 162.2 24.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.746 -179.833 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.411 ' N ' ' CD ' ' A' ' 53' ' ' PRO . 3.9 m120 -144.33 52.54 1.86 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.515 -179.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.729 ' HG2' HD21 ' A' ' 58' ' ' LEU . 80.1 Cg_endo -76.72 107.91 2.55 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 122.503 2.136 . . . . 0.0 112.153 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.29 -176.31 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.2 -53.15 60.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 23.0 t -62.25 -32.83 73.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.709 179.794 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -60.75 3.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.729 HD21 ' HG2' ' A' ' 53' ' ' PRO . 8.6 mt -65.27 -31.36 72.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.751 -179.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -63.02 -25.97 68.63 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.871 179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.44 -30.36 53.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.688 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 61' ' ' ILE . 1.7 mp -82.98 -59.34 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.344 179.368 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.947 HD12 HG22 ' A' ' 39' ' ' THR . 30.1 mt -43.9 -42.87 1.82 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.112 179.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 3.2 t -57.57 -47.98 80.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.409 179.673 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.97 -32.81 65.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.953 179.03 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.63 HG22 ' CB ' ' A' ' 81' ' ' MET . 53.1 t -63.32 -51.8 66.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.344 179.312 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.75 118.34 17.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.154 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -90.05 -24.14 21.25 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.832 179.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -100.18 19.89 15.63 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.283 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 48.9 58.84 7.29 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.888 -0.672 . . . . 0.0 112.688 179.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 p -113.95 -23.9 9.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.666 0.269 . . . . 0.0 111.358 -179.74 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 77.21 1.82 76.25 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.551 -0.833 . . . . 0.0 112.385 -179.344 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.428 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 7.7 p -113.23 150.56 32.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.828 0.347 . . . . 0.0 110.803 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.523 ' HB ' ' HB ' ' A' ' 37' ' ' ILE . 51.1 mt -107.38 120.9 59.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.504 -179.575 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.13 -170.82 0.65 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 179.723 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.46 ' CE1' ' CZ ' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -62.1 -74.79 0.08 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.997 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' HD12 ' A' ' 79' ' ' LEU . 22.8 mt-10 -66.76 -25.42 66.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 81' ' ' MET . 2.8 mt-10 -52.5 -26.14 12.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.536 ' CZ ' ' CE2' ' A' ' 29' ' ' PHE . 18.6 t80 -63.71 -15.13 57.67 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.113 179.714 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.935 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 mp -95.32 -43.75 7.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.964 0.411 . . . . 0.0 109.942 178.919 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.967 HG22 ' HB2' ' A' ' 10' ' ' ALA . 54.8 t -62.93 -34.38 65.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.648 179.397 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.63 ' CB ' HG22 ' A' ' 65' ' ' VAL . 1.7 ptm -49.89 -41.37 45.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.286 0.565 . . . . 0.0 110.572 179.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.495 ' SD ' ' HB3' ' B' ' 118' ' ' ALA . 0.0 OUTLIER -91.55 -28.33 17.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.158 -179.846 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.935 HG23 ' O ' ' A' ' 79' ' ' LEU . 90.4 t -59.65 -42.6 88.96 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-O 120.954 0.407 . . . . 0.0 110.279 179.215 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -65.04 -26.13 68.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.723 179.577 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -102.97 13.01 35.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.614 179.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' MET . . . . . 0.544 ' CE ' HD21 ' A' ' 14' ' ' LEU . 4.4 mtm -116.17 -37.88 3.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.824 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -57.3 -67.65 0.3 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.869 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -75.33 140.01 42.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -158.13 29.2 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.064 -179.988 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 115' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.455 0 CA-C-O 120.699 0.285 . . . . 0.0 111.358 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 116' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -165.57 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.687 179.895 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 117' ' ' SER . . . . . 0.505 ' C ' ' H ' ' B' ' 119' ' ' ASP . 71.1 m 52.86 -109.26 0.46 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.521 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 118' ' ' ALA . . . . . 0.556 ' O ' HD13 ' B' ' 122' ' ' LEU . . . 70.75 -23.48 0.17 Allowed 'General case' 0 C--N 1.333 -0.148 0 O-C-N 122.405 -0.185 . . . . 0.0 111.258 -179.688 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 119' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' B' ' 117' ' ' SER . 11.0 t70 -46.19 -31.04 2.21 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-O 121.051 0.453 . . . . 0.0 110.101 179.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 120' ' ' ALA . . . . . . . . . . . . . . . -62.81 -61.3 2.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.109 179.034 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 121' ' ' MET . . . . . 0.765 ' CE ' HD12 ' B' ' 122' ' ' LEU . 5.9 ttp -60.08 -39.38 85.87 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.69 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . 0.765 HD12 ' CE ' ' B' ' 121' ' ' MET . 9.4 mp -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.835 179.321 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -90.66 11.47 22.01 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.426 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 124' ' ' ALA . . . . . 0.72 ' HB1' HD22 ' A' ' 49' ' ' LEU . . . -76.85 -79.44 0.11 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.92 0.39 . . . . 0.0 111.529 -179.532 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.713 HD21 ' HE1' ' A' ' 48' ' ' MET . 6.7 mt -71.66 -21.24 61.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.39 -179.5 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 126' ' ' LEU . . . . . 0.48 ' N ' ' HB1' ' A' ' 24' ' ' ALA . 72.2 mt 53.08 179.74 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.114 179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 127' ' ' GLY . . . . . . . . . . . . . . . -106.41 -107.75 3.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.515 179.908 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 128' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.81 118.87 20.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.737 0.303 . . . . 0.0 110.88 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 129' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -134.25 100.31 4.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -150.82 88.43 1.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 131' ' ' LYS . . . . . . . . . . . . . 37.0 mttp . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.926 179.963 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_